2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine

C17H25N3 — CID 43094518

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(n2cnc3cc(C)c(C)cc32)C1
InChIInChI=1S/C17H25N3/c1-4-13-5-6-14(18)16(9-13)20-10-19-15-7-11(2)12(3)8-17(15)20/h7-8,10,13-14,16H,4-6,9,18H2,1-3H3
InChIKeyOYIJLNUURMUDJA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.73
Rot. Bonds2

About 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine

2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine (PubChem CID 43094518) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine
PubChem CID43094518
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(n2cnc3cc(C)c(C)cc32)C1
InChIInChI=1S/C17H25N3/c1-4-13-5-6-14(18)16(9-13)20-10-19-15-7-11(2)12(3)8-17(15)20/h7-8,10,13-14,16H,4-6,9,18H2,1-3H3
InChIKeyOYIJLNUURMUDJA-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine (CID 43094518) is 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(n2cnc3cc(C)c(C)cc32)C1.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine?
The InChIKey is OYIJLNUURMUDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-13-5-6-14(18)16(9-13)20-10-19-15-7-11(2)12(3)8-17(15)20/h7-8,10,13-14,16H,4-6,9,18H2,1-3H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine?
2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 43094518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).