(1-Allyl-1H-benzoimidazol-2-yl)-methanol

HCID 718196

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Basic information

CAS: 300706-95-0
Standard SMILES: C=CCn1c(CO)nc2ccccc21
InChIKey: WCFBNPLGHKARRT-UHFFFAOYSA-N
Molecular formula: C11H12N2O
Average molar mass: 188.23 g/mol
Monoisotopic mass: 188.094963

Names & identifiers

Preferred name: (1-Allyl-1H-benzoimidazol-2-yl)-methanol
IUPAC: (1-prop-2-enylbenzimidazol-2-yl)methanol
English name: (1-allyl-1H-benzoimidazol-2-yl)methanol
Molecular formula: C11H12N2O
Molecular weight: 188.23

Names & synonyms

300706-95-0(1-Allyl-1H-benzoimidazol-2-yl)-methanol(1-allyl-1H-benzimidazol-2-yl)methanol(1-allyl-1H-benzo[d]imidazol-2-yl)methanol(1-Allyl-1H-benzoimidazol-2-yl)methanol(1-prop-2-enylbenzimidazol-2-yl)methanolF0414-0074(1-ALLYL-1H-1,3-BENZIMIDAZOL-2-YL)METHANOL(1-prop-2-enylbenzimidazol-2-yl)methan-1-olIFLab1_001526SCHEMBL1520132DTXSID70352083

Show more names

1H-Benzimidazole-2-methanol, 1-(2-propen-1-yl)-1H-Benzimidazole-2-methanol,1-(2-propenyl)-(9CI)

WCFBNPLGHKARRT-UHFFFAOYSA-NHMS1416F08SMSSF-0050506(1-allylbenzimidazol-2-yl)methanolSBB044048STK738022AKOS000272124AS-86636

Database identifiers

CAS: 300706-95-0
PubChem CID: 718196
DTXSID: DTXSID70352083

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 97 · 97-98 °C
Boiling point: 367.2 · 367.2±35.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
pka: 13.9 · 13.90±0.10(Predicted)
InChI: InChI=1S/C11H12N2O/c1-2-7-13-10-6-4-3-5-9(10)12-11(13)8-14/h2-6,14H,1,7-8H2
InChIKey: WCFBNPLGHKARRT-UHFFFAOYSA-N
SMILES: C1(CO)N(CC=C)C2=CC=CC=C2N=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338