1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine

C18H27N3 — CID 79755494

IUPAC1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCCn1c(CC2(N)CC(C)CCC2C)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-4-21-16-8-6-5-7-15(16)20-17(21)12-18(19)11-13(2)9-10-14(18)3/h5-8,13-14H,4,9-12,19H2,1-3H3
InChIKeyIWAFQBHGUKCOAI-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.75
Rot. Bonds3

About 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine

1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 79755494) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID79755494
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCCn1c(CC2(N)CC(C)CCC2C)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-4-21-16-8-6-5-7-15(16)20-17(21)12-18(19)11-13(2)9-10-14(18)3/h5-8,13-14H,4,9-12,19H2,1-3H3
InChIKeyIWAFQBHGUKCOAI-UHFFFAOYSA-N
XLogP3.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79755493
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663718
2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole
CID 116540367
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79755052
3-[(1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539036
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole
CID 81318771
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993863
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 105007726
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 79755494) is 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine is CCn1c(CC2(N)CC(C)CCC2C)nc2ccccc21.
What is the InChIKey of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is IWAFQBHGUKCOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-21-16-8-6-5-7-15(16)20-17(21)12-18(19)11-13(2)9-10-14(18)3/h5-8,13-14H,4,9-12,19H2,1-3H3.
What are the key properties of 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79755494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).