1-cycloheptyl-2-propylbenzimidazol-5-amine

C17H25N3 — CID 62507199

IUPAC1-cycloheptyl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCCCC1
InChIInChI=1S/C17H25N3/c1-2-7-17-19-15-12-13(18)10-11-16(15)20(17)14-8-5-3-4-6-9-14/h10-12,14H,2-9,18H2,1H3
InChIKeyPGSADGDNALSMSC-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.47
Rot. Bonds3

About 1-cycloheptyl-2-propylbenzimidazol-5-amine

1-cycloheptyl-2-propylbenzimidazol-5-amine (PubChem CID 62507199) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-cycloheptyl-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-cycloheptyl-2-propylbenzimidazol-5-amine
PubChem CID62507199
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-cycloheptyl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCCCC1
InChIInChI=1S/C17H25N3/c1-2-7-17-19-15-12-13(18)10-11-16(15)20(17)14-8-5-3-4-6-9-14/h10-12,14H,2-9,18H2,1H3
InChIKeyPGSADGDNALSMSC-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cycloheptyl-2-propylbenzimidazol-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-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
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-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
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-cycloheptyl-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-cycloheptyl-2-propylbenzimidazol-5-amine (CID 62507199) is 1-cycloheptyl-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-cycloheptyl-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-cycloheptyl-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-propylbenzimidazol-5-amine?
The InChIKey is PGSADGDNALSMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-7-17-19-15-12-13(18)10-11-16(15)20(17)14-8-5-3-4-6-9-14/h10-12,14H,2-9,18H2,1H3.
What are the key properties of 1-cycloheptyl-2-propylbenzimidazol-5-amine?
1-cycloheptyl-2-propylbenzimidazol-5-amine has a molecular weight of 271.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62507199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).