4-chloro-1-(3-methylphenyl)benzimidazol-2-amine

C14H12ClN3 — CID 104836856

IUPAC4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
SMILESCc1cccc(-n2c(N)nc3c(Cl)cccc32)c1
InChIInChI=1S/C14H12ClN3/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(15)13(12)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyNQEUQICRGJMTNX-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.57
Rot. Bonds1

About 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine

4-chloro-1-(3-methylphenyl)benzimidazol-2-amine (PubChem CID 104836856) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
PubChem CID104836856
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
SMILESCc1cccc(-n2c(N)nc3c(Cl)cccc32)c1
InChIInChI=1S/C14H12ClN3/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(15)13(12)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyNQEUQICRGJMTNX-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243
4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 104836835
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 104837546
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637295
4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol
CID 157392946

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine (CID 104836856) is 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine is Cc1cccc(-n2c(N)nc3c(Cl)cccc32)c1.
What is the InChIKey of 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine?
The InChIKey is NQEUQICRGJMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(15)13(12)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine?
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine has a molecular weight of 257.72 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 104836856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).