1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine

C16H23N3 — CID 114541143

IUPAC1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCC(C)C1
InChIInChI=1S/C16H23N3/c1-3-4-16-18-14-10-12(17)6-8-15(14)19(16)13-7-5-11(2)9-13/h6,8,10-11,13H,3-5,7,9,17H2,1-2H3
InChIKeyFZWDREUPTJQDNW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine

1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine (PubChem CID 114541143) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
PubChem CID114541143
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCC(C)C1
InChIInChI=1S/C16H23N3/c1-3-4-16-18-14-10-12(17)6-8-15(14)19(16)13-7-5-11(2)9-13/h6,8,10-11,13H,3-5,7,9,17H2,1-2H3
InChIKeyFZWDREUPTJQDNW-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.93
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-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-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442
1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
CID 63496687
2-benzyl-1-cyclopropylbenzimidazol-5-amine
CID 82486059
5-bromo-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667494
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
CID 106137537

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine (CID 114541143) is 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C1CCC(C)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine?
The InChIKey is FZWDREUPTJQDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-16-18-14-10-12(17)6-8-15(14)19(16)13-7-5-11(2)9-13/h6,8,10-11,13H,3-5,7,9,17H2,1-2H3.
What are the key properties of 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine?
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 114541143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).