N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine

C17H25N3 — CID 60664261

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H25N3/c1-3-13-8-10-14(11-9-13)18-12(2)17-19-15-6-4-5-7-16(15)20-17/h4-7,12-14,18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyRUYOWCYTUZOBIY-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.18
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine (PubChem CID 60664261) 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]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
PubChem CID60664261
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H25N3/c1-3-13-8-10-14(11-9-13)18-12(2)17-19-15-6-4-5-7-16(15)20-17/h4-7,12-14,18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyRUYOWCYTUZOBIY-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
CID 124589881
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylcyclopentan-1-amine
CID 65046013
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836434
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
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)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66141196
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine (CID 60664261) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NC(C)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine?
The InChIKey is RUYOWCYTUZOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-13-8-10-14(11-9-13)18-12(2)17-19-15-6-4-5-7-16(15)20-17/h4-7,12-14,18H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.18, 4 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]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 60664261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).