1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine

C15H13BrClN3O — CID 103480612

IUPAC1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2-c1cccc(Cl)c1Br
InChIInChI=1S/C15H13BrClN3O/c1-2-21-12-8-4-7-11-14(12)19-15(18)20(11)10-6-3-5-9(17)13(10)16/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyQMCQFIUXSSYOGX-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.42
Rot. Bonds3

About 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine

1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine (PubChem CID 103480612) has the molecular formula C15H13BrClN3O and a molecular weight of 366.65 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
PubChem CID103480612
Molecular FormulaC15H13BrClN3O
Molecular Weight366.65 g/mol
Exact Mass364.99
IUPAC Name1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2-c1cccc(Cl)c1Br
InChIInChI=1S/C15H13BrClN3O/c1-2-21-12-8-4-7-11-14(12)19-15(18)20(11)10-6-3-5-9(17)13(10)16/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyQMCQFIUXSSYOGX-UHFFFAOYSA-N
XLogP4.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
CID 107637356
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
6-bromo-1-(2-bromo-3-chlorophenyl)benzimidazol-2-amine
CID 103480613
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637295
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
CID 106346313
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
CID 102854268
4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 106035762
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine (CID 103480612) is 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine is CCOc1cccc2c1nc(N)n2-c1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine?
The InChIKey is QMCQFIUXSSYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O/c1-2-21-12-8-4-7-11-14(12)19-15(18)20(11)10-6-3-5-9(17)13(10)16/h3-8H,2H2,1H3,(H2,18,19).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine?
1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine has a molecular weight of 366.65 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine is sourced from PubChem (CID 103480612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).