2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-

HCID 84657CAS 14813-85-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1[nH]c2ccccc2n1-c1ccccc1
InChIKey: OLMPQQPQSTVRPB-UHFFFAOYSA-N
Molecular formula: C13H10N2O
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.07931295

Names & identifiers

Preferred name: 2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
IUPAC: 3-phenyl-1H-benzimidazol-2-one
English name: 1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one
Molecular formula: C13H10N2O
Molecular weight: 210.23

Names & synonyms

14813-85-52H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-1,3-Dihydro-1-phenyl-2H-benzimidazol-2-one1-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-oneDTXSID20163888RefChem:484249DTXCID2086379849-576-21-Phenyl-1H-benzo[d]imidazol-2(3H)-one3-phenyl-1H-benzimidazol-2-oneMFCD016588031-Phenylbenzimidazolin-2-one

Show more names

1-Phenylbenzimidazol-2(3H)-One1-Phenyl-1H-benzimidazole-2(3H)-one1-phenyl-1,3-dihydro-benzoimidazol-3-one

1-phenyl-1,3-dihydro-benzoimidazol-2-one2-Benzimidazolinone, 1-phenyl-1-Phenylbenzimidazole deriv. 521-Phenylbenzimidazolon1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one1-Phenyl-2-benzimidazolinonehydroxyphenyl 1h benzimidazoleSCHEMBL699273

Database identifiers

CAS: 14813-85-5
PubChem CID: 84657
DTXSID: DTXSID20163888
ChEMBL: CHEMBL150912
EC Number: 849-576-2
Nikkaji: J101.835C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 273

Physicochemical properties

Melting point: 201 · 201-202 °C
Density: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.61 · 11.61±0.30(Predicted)
Appearance: Light brown to brown Solid
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362