N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine

C15H21N3 — CID 53410318

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H21N3/c1-11(16-12-7-3-2-4-8-12)15-17-13-9-5-6-10-14(13)18-15/h5-6,9-12,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyOMNQJZNVOCQGBK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine

N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine (PubChem CID 53410318) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
PubChem CID53410318
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H21N3/c1-11(16-12-7-3-2-4-8-12)15-17-13-9-5-6-10-14(13)18-15/h5-6,9-12,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyOMNQJZNVOCQGBK-UHFFFAOYSA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 60664261
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylcyclopentan-1-amine
CID 65046013
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836434
2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
CID 11426309
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466482
2-propan-2-yl-1H-benzimidazole
CID 22121
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 84594730
1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CID 1079144

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine (CID 53410318) is N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine is CC(NC1CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
The InChIKey is OMNQJZNVOCQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(16-12-7-3-2-4-8-12)15-17-13-9-5-6-10-14(13)18-15/h5-6,9-12,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine has a molecular weight of 243.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 53410318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).