[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine

C16H16ClN3 — CID 104713141

IUPAC[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(Cc2ccc(Cl)cc2)nc2ccc(CN)cc21
InChIInChI=1S/C16H16ClN3/c1-20-15-8-12(10-18)4-7-14(15)19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9-10,18H2,1H3
InChIKeyQVSKYOMJQBVYBT-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.28
Rot. Bonds3

About [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine

[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 104713141) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
PubChem CID104713141
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(Cc2ccc(Cl)cc2)nc2ccc(CN)cc21
InChIInChI=1S/C16H16ClN3/c1-20-15-8-12(10-18)4-7-14(15)19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9-10,18H2,1H3
InChIKeyQVSKYOMJQBVYBT-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713039
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
CID 104712932
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713201
[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713172
[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713110
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine (CID 104713141) is [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine is Cn1c(Cc2ccc(Cl)cc2)nc2ccc(CN)cc21.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is QVSKYOMJQBVYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-20-15-8-12(10-18)4-7-14(15)19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9-10,18H2,1H3.
What are the key properties of [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 104713141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).