1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine

C18H27N3 — CID 63497047

IUPAC1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC1CCC(n2c(C(C)C)nc3cc(N)ccc32)CC1
InChIInChI=1S/C18H27N3/c1-4-13-5-8-15(9-6-13)21-17-10-7-14(19)11-16(17)20-18(21)12(2)3/h7,10-13,15H,4-6,8-9,19H2,1-3H3
InChIKeyJAAQNOQURHEXEG-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.88
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine

1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 63497047) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID63497047
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC1CCC(n2c(C(C)C)nc3cc(N)ccc32)CC1
InChIInChI=1S/C18H27N3/c1-4-13-5-8-15(9-6-13)21-17-10-7-14(19)11-16(17)20-18(21)12(2)3/h7,10-13,15H,4-6,8-9,19H2,1-3H3
InChIKeyJAAQNOQURHEXEG-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497929
1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507406
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol
CID 106364825
1-(2-methoxycyclopentyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506076
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine (CID 63497047) is 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine is CCC1CCC(n2c(C(C)C)nc3cc(N)ccc32)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is JAAQNOQURHEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-13-5-8-15(9-6-13)21-17-10-7-14(19)11-16(17)20-18(21)12(2)3/h7,10-13,15H,4-6,8-9,19H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 63497047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).