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

C18H27N3 — CID 63497929

IUPAC1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC1CCCCC1n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C18H27N3/c1-4-13-7-5-6-8-16(13)21-17-10-9-14(19)11-15(17)20-18(21)12(2)3/h9-13,16H,4-8,19H2,1-3H3
InChIKeyFDQWPDKZIRORJQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.88
Rot. Bonds3

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

1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 63497929) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID63497929
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC1CCCCC1n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C18H27N3/c1-4-13-7-5-6-8-16(13)21-17-10-9-14(19)11-15(17)20-18(21)12(2)3/h9-13,16H,4-8,19H2,1-3H3
InChIKeyFDQWPDKZIRORJQ-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'}

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Related Compounds

[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol
CID 106364825
1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497047
1-(2-methoxycyclopentyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506076
5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
CID 63545226
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182
1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507406
5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 63545324
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
1-(2-ethylcyclohexyl)indazol-6-amine
CID 63861782
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine (CID 63497929) is 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine is CCC1CCCCC1n1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is FDQWPDKZIRORJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-13-7-5-6-8-16(13)21-17-10-9-14(19)11-15(17)20-18(21)12(2)3/h9-13,16H,4-8,19H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
1-(2-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-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 63497929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).