N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine

C17H25N3 — CID 79836434

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H25N3/c1-12(18-15-10-6-7-11-17(15,2)3)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVNCYMEMFNMFKHP-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.18
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine

N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836434) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79836434
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H25N3/c1-12(18-15-10-6-7-11-17(15,2)3)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVNCYMEMFNMFKHP-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylcyclopentan-1-amine
CID 65046013
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 78925715
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
2,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402338
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 60664261
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-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 2328668
1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
CID 119060351
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 81379211

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 79836434) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine is CC(NC1CCCCC1(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is VNCYMEMFNMFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(18-15-10-6-7-11-17(15,2)3)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,18H,6-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.18, 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]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).