[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine

C15H21N3 — CID 113310412

IUPAC[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H21N3/c1-11-6-8-15(10-16,9-7-11)14-17-12-4-2-3-5-13(12)18-14/h2-5,11H,6-10,16H2,1H3,(H,17,18)
InChIKeyICDXHTRLIQUROJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.97
Rot. Bonds2

About [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine

[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine (PubChem CID 113310412) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
PubChem CID113310412
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H21N3/c1-11-6-8-15(10-16,9-7-11)14-17-12-4-2-3-5-13(12)18-14/h2-5,11H,6-10,16H2,1H3,(H,17,18)
InChIKeyICDXHTRLIQUROJ-UHFFFAOYSA-N
XLogP2.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716
2-(1-fluorocyclopropyl)-1H-benzimidazole
CID 67492250
2-(2-methylazetidin-2-yl)-1H-benzimidazole
CID 141153075
[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445764
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684
[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445762
1-(1H-benzimidazol-2-yl)cyclopropane-1-carboxamide
CID 91134350
2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83976004
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
CID 113310564

Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine (CID 113310412) is [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is ICDXHTRLIQUROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-6-8-15(10-16,9-7-11)14-17-12-4-2-3-5-13(12)18-14/h2-5,11H,6-10,16H2,1H3,(H,17,18).
What are the key properties of [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine?
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 113310412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).