5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine

C14H11BrClN3 — CID 43661666

IUPAC5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(Cl)cc1-n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C14H11BrClN3/c1-8-2-4-10(16)7-13(8)19-12-5-3-9(15)6-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyWVECOZFGWRMZGB-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.33
Rot. Bonds1

About 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine

5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine (PubChem CID 43661666) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
PubChem CID43661666
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(Cl)cc1-n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C14H11BrClN3/c1-8-2-4-10(16)7-13(8)19-12-5-3-9(15)6-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyWVECOZFGWRMZGB-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-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
CID 104727540
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
CID 43659506
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine (CID 43661666) is 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine is Cc1ccc(Cl)cc1-n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine?
The InChIKey is WVECOZFGWRMZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-8-2-4-10(16)7-13(8)19-12-5-3-9(15)6-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine?
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-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 5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 43661666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).