2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine

C17H26N4 — CID 82067397

IUPAC2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
SMILESCCCCc1nc2c(N)cccc2n1CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-2-3-9-16-19-17-14(18)7-6-8-15(17)21(16)13-12-20-10-4-5-11-20/h6-8H,2-5,9-13,18H2,1H3
InChIKeyXCLTYGJYTIFRDN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.06
Rot. Bonds6

About 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine

2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine (PubChem CID 82067397) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
PubChem CID82067397
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
SMILESCCCCc1nc2c(N)cccc2n1CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-2-3-9-16-19-17-14(18)7-6-8-15(17)21(16)13-12-20-10-4-5-11-20/h6-8H,2-5,9-13,18H2,1H3
InChIKeyXCLTYGJYTIFRDN-UHFFFAOYSA-N
XLogP3.06
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The IUPAC name of 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine (CID 82067397) is 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine.
What is the SMILES notation for 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The canonical SMILES for 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine is CCCCc1nc2c(N)cccc2n1CCN1CCCC1.
What is the InChIKey of 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The InChIKey is XCLTYGJYTIFRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-3-9-16-19-17-14(18)7-6-8-15(17)21(16)13-12-20-10-4-5-11-20/h6-8H,2-5,9-13,18H2,1H3.
What are the key properties of 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine is sourced from PubChem (CID 82067397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).