2-(propan-2-yl)-1H-1,3-benzodiazole

HCID 22121CAS 5851-43-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)c1nc2ccccc2[nH]1
InChIKey
RITUGMAIQCZEOG-UHFFFAOYSA-N
Molecular formula
C10H12N2
Average molar mass
160.22 g/mol
Monoisotopic mass
160.10004838

Overview

2-Isopropyl-1H-benzo[d]imidazole is a member of benzimidazoles.

Names & identifiers

Preferred name
2-(propan-2-yl)-1H-1,3-benzodiazole
IUPAC
2-propan-2-yl-1H-benzimidazole
English name
2-ISOPROPYLBENZIMIDAZOLE
Molecular formula
C10H12N2
Molecular weight
160.22

Names & synonyms

2-ISOPROPYLBENZIMIDAZOLE2-(propan-2-yl)-1H-1,3-benzodiazoleRefChem:461988676-582-05851-43-42-isopropyl-1H-benzo[d]imidazole2-Isopropyl-1H-benzimidazole1H-Benzimidazole, 2-(1-methylethyl)-Benzimidazole, 2-isopropyl-2-propan-2-yl-1H-benzimidazoleMFCD00051759CHEMBL368344
Show more names
BUTTPARK 145\04-792-(Prop-2-yl)-1H-benzimidazole-Isopropyl-1H-benzo[d]imidazole
2-(methylethyl)benzimidazoleBRN 00035352-isopropyl-benzimidazolMaybridge1_003611SCHEMBL858325-23-06-00501 (Beilstein Handbook Reference)2-Isopropyl-1H-benzoimidazoleF0853-0050

Database identifiers

CAS
5851-43-4
PubChem CID
22121
DTXSID
DTXSID50207229
ChEMBL
CHEMBL368344
ChEBI
CHEBI:194842
EC Number
676-582-0
Nikkaji
J69.220D

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
237 · 237-238°C
Density
1.103 · 1.103
storage temp.
2 · Storage temp. 2-8°C
form
solid
color
Grey
BRN
3535 · 3535

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Safety data

rtecs
DD9014000
hs_code
2933998090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn

Chemistry & industry

Suppliers33 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Additional notes

DefinitionChEBI: 2-Isopropyl-1H-benzo[d]imidazole is a member of benzimidazoles.

Related reactions

49 records
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Linked notes

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