1-benzyl-2-propylbenzimidazol-4-amine

C17H19N3 — CID 82067310

IUPAC1-benzyl-2-propylbenzimidazol-4-amine
SMILESCCCc1nc2c(N)cccc2n1Cc1ccccc1
InChIInChI=1S/C17H19N3/c1-2-7-16-19-17-14(18)10-6-11-15(17)20(16)12-13-8-4-3-5-9-13/h3-6,8-11H,2,7,12,18H2,1H3
InChIKeyXMLUHSNCNBFANA-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.62
Rot. Bonds4

About 1-benzyl-2-propylbenzimidazol-4-amine

1-benzyl-2-propylbenzimidazol-4-amine (PubChem CID 82067310) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzyl-2-propylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-benzyl-2-propylbenzimidazol-4-amine
PubChem CID82067310
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-benzyl-2-propylbenzimidazol-4-amine
SMILESCCCc1nc2c(N)cccc2n1Cc1ccccc1
InChIInChI=1S/C17H19N3/c1-2-7-16-19-17-14(18)10-6-11-15(17)20(16)12-13-8-4-3-5-9-13/h3-6,8-11H,2,7,12,18H2,1H3
InChIKeyXMLUHSNCNBFANA-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.62
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-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde
CID 140992531
3-[(4-amino-2-ethylbenzimidazol-1-yl)methyl]benzoic acid
CID 82067236
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
CID 82067691
2-butyl-1-(methoxymethyl)benzimidazol-4-amine
CID 82067390
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
1,6-dibenzyl-2-butylimidazo[4,5-c]pyridin-4-amine
CID 72696448
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propylbenzimidazol-4-amine?
The IUPAC name of 1-benzyl-2-propylbenzimidazol-4-amine (CID 82067310) is 1-benzyl-2-propylbenzimidazol-4-amine.
What is the SMILES notation for 1-benzyl-2-propylbenzimidazol-4-amine?
The canonical SMILES for 1-benzyl-2-propylbenzimidazol-4-amine is CCCc1nc2c(N)cccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-propylbenzimidazol-4-amine?
The InChIKey is XMLUHSNCNBFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-7-16-19-17-14(18)10-6-11-15(17)20(16)12-13-8-4-3-5-9-13/h3-6,8-11H,2,7,12,18H2,1H3.
What are the key properties of 1-benzyl-2-propylbenzimidazol-4-amine?
1-benzyl-2-propylbenzimidazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propylbenzimidazol-4-amine is sourced from PubChem (CID 82067310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).