4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole

C13H16ClN3 — CID 63144329

IUPAC4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCCC1(c2nc3c(Cl)cccc3[nH]2)CCNC1
InChIInChI=1S/C13H16ClN3/c1-2-13(6-7-15-8-13)12-16-10-5-3-4-9(14)11(10)17-12/h3-5,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyAFCJJKHDJAMNNI-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole

4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole (PubChem CID 63144329) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole
PubChem CID63144329
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCCC1(c2nc3c(Cl)cccc3[nH]2)CCNC1
InChIInChI=1S/C13H16ClN3/c1-2-13(6-7-15-8-13)12-16-10-5-3-4-9(14)11(10)17-12/h3-5,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyAFCJJKHDJAMNNI-UHFFFAOYSA-N
XLogP2.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole 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 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole (CID 63144329) is 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole is CCC1(c2nc3c(Cl)cccc3[nH]2)CCNC1.
What is the InChIKey of 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole?
The InChIKey is AFCJJKHDJAMNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-13(6-7-15-8-13)12-16-10-5-3-4-9(14)11(10)17-12/h3-5,15H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole?
4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole has a molecular weight of 249.74 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 63144329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).