1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine

C16H23N3 — CID 60665119

IUPAC1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H23N3/c1-12(17-11-13-7-3-2-4-8-13)16-18-14-9-5-6-10-15(14)19-16/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyQMOXDMXBMUWRJZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.79
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine

1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 60665119) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
PubChem CID60665119
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H23N3/c1-12(17-11-13-7-3-2-4-8-13)16-18-14-9-5-6-10-15(14)19-16/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyQMOXDMXBMUWRJZ-UHFFFAOYSA-N
XLogP3.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 60664261
N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
CID 102970503
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylcyclopentan-1-amine
CID 65046013
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836434
1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide
CID 57312430
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CID 1079144

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine (CID 60665119) is 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine is CC(NCC1CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is QMOXDMXBMUWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(17-11-13-7-3-2-4-8-13)16-18-14-9-5-6-10-15(14)19-16/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3,(H,18,19).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine?
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.79, 4 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)-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 60665119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).