1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine

C14H11BrClN3 — CID 115552616

IUPAC1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccc(Cl)cc3Br)c12
InChIInChI=1S/C14H11BrClN3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-6-5-9(16)7-10(12)15/h2-7H,1H3,(H2,17,18)
InChIKeyKWKMLQHEEWOGBD-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.33
Rot. Bonds1

About 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine

1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552616) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
PubChem CID115552616
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccc(Cl)cc3Br)c12
InChIInChI=1S/C14H11BrClN3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-6-5-9(16)7-10(12)15/h2-7H,1H3,(H2,17,18)
InChIKeyKWKMLQHEEWOGBD-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
CID 107791619
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553755
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine (CID 115552616) is 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(-c3ccc(Cl)cc3Br)c12.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine?
The InChIKey is KWKMLQHEEWOGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-6-5-9(16)7-10(12)15/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine?
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine has a molecular weight of 336.62 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).