1-butyl-2-(2-methylpropyl)benzimidazol-4-amine

C15H23N3 — CID 82067688

IUPAC1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
SMILESCCCCn1c(CC(C)C)nc2c(N)cccc21
InChIInChI=1S/C15H23N3/c1-4-5-9-18-13-8-6-7-12(16)15(13)17-14(18)10-11(2)3/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyOSZGYXWBARMQFK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.62
Rot. Bonds5

About 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine

1-butyl-2-(2-methylpropyl)benzimidazol-4-amine (PubChem CID 82067688) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine.

Molecular Properties

Compound Name1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
PubChem CID82067688
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
SMILESCCCCn1c(CC(C)C)nc2c(N)cccc21
InChIInChI=1S/C15H23N3/c1-4-5-9-18-13-8-6-7-12(16)15(13)17-14(18)10-11(2)3/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyOSZGYXWBARMQFK-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
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-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
CID 82067691
2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
CID 82067705
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
methyl 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]acetate
CID 82067665
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
CID 82067397
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
2-butyl-1-(methoxymethyl)benzimidazol-4-amine
CID 82067390
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
CID 82068272

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine?
The IUPAC name of 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine (CID 82067688) is 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine.
What is the SMILES notation for 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine?
The canonical SMILES for 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine is CCCCn1c(CC(C)C)nc2c(N)cccc21.
What is the InChIKey of 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine?
The InChIKey is OSZGYXWBARMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-5-9-18-13-8-6-7-12(16)15(13)17-14(18)10-11(2)3/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine?
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methylpropyl)benzimidazol-4-amine is sourced from PubChem (CID 82067688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).