1-cyclooctyl-2-propylbenzimidazol-5-amine

C18H27N3 — CID 63497748

IUPAC1-cyclooctyl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCCCCC1
InChIInChI=1S/C18H27N3/c1-2-8-18-20-16-13-14(19)11-12-17(16)21(18)15-9-6-4-3-5-7-10-15/h11-13,15H,2-10,19H2,1H3
InChIKeyYLIMPZHRJMKKMZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.86
Rot. Bonds3

About 1-cyclooctyl-2-propylbenzimidazol-5-amine

1-cyclooctyl-2-propylbenzimidazol-5-amine (PubChem CID 63497748) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-cyclooctyl-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-cyclooctyl-2-propylbenzimidazol-5-amine
PubChem CID63497748
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-cyclooctyl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCCCCC1
InChIInChI=1S/C18H27N3/c1-2-8-18-20-16-13-14(19)11-12-17(16)21(18)15-9-6-4-3-5-7-10-15/h11-13,15H,2-10,19H2,1H3
InChIKeyYLIMPZHRJMKKMZ-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
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

1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-(oxan-4-yl)-2-propylbenzimidazol-5-amine
CID 62506385
1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
CID 62506407
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
CID 114541143
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442
1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
CID 63496687
1-piperidin-1-yl-2-propylbenzimidazol-5-amine
CID 83025271

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-cyclooctyl-2-propylbenzimidazol-5-amine (CID 63497748) is 1-cyclooctyl-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-cyclooctyl-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-cyclooctyl-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-propylbenzimidazol-5-amine?
The InChIKey is YLIMPZHRJMKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-8-18-20-16-13-14(19)11-12-17(16)21(18)15-9-6-4-3-5-7-10-15/h11-13,15H,2-10,19H2,1H3.
What are the key properties of 1-cyclooctyl-2-propylbenzimidazol-5-amine?
1-cyclooctyl-2-propylbenzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 63497748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).