[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine

C16H16ClN3 — CID 104713172

IUPAC[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCc1cc(Cl)cc(-c2nc3ccc(CN)cc3n2C)c1
InChIInChI=1S/C16H16ClN3/c1-10-5-12(8-13(17)6-10)16-19-14-4-3-11(9-18)7-15(14)20(16)2/h3-8H,9,18H2,1-2H3
InChIKeyCSUWBQUYMWQNKI-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.66
Rot. Bonds2

About [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine

[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 104713172) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
PubChem CID104713172
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCc1cc(Cl)cc(-c2nc3ccc(CN)cc3n2C)c1
InChIInChI=1S/C16H16ClN3/c1-10-5-12(8-13(17)6-10)16-19-14-4-3-11(9-18)7-15(14)20(16)2/h3-8H,9,18H2,1-2H3
InChIKeyCSUWBQUYMWQNKI-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713110
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713201
[3-methyl-2-(2-methyl-4-pyridinyl)benzimidazol-5-yl]methanamine
CID 106754392
[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine
CID 113444392
[2-(3-chloro-5-methylphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721567
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
CID 104712925
[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
CID 113444368
[2-(2,5-dibromophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114375973
[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
CID 65037693
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine (CID 104713172) is [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine is Cc1cc(Cl)cc(-c2nc3ccc(CN)cc3n2C)c1.
What is the InChIKey of [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is CSUWBQUYMWQNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10-5-12(8-13(17)6-10)16-19-14-4-3-11(9-18)7-15(14)20(16)2/h3-8H,9,18H2,1-2H3.
What are the key properties of [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine?
[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 104713172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).