3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one

C20H18N4O — CID 135464161

IUPAC3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(N2CCCC2)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O/c25-20-17(19-21-15-9-3-4-10-16(15)22-19)18(24-11-5-6-12-24)13-7-1-2-8-14(13)23-20/h1-4,7-10H,5-6,11-12H2,(H,21,22)(H,23,25)
InChIKeyHDBOHJJRWWZZQP-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.67
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one

3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one (PubChem CID 135464161) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
PubChem CID135464161
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(N2CCCC2)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O/c25-20-17(19-21-15-9-3-4-10-16(15)22-19)18(24-11-5-6-12-24)13-7-1-2-8-14(13)23-20/h1-4,7-10H,5-6,11-12H2,(H,21,22)(H,23,25)
InChIKeyHDBOHJJRWWZZQP-UHFFFAOYSA-N
XLogP3.67
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one 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 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one (CID 135464161) is 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(N2CCCC2)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The InChIKey is HDBOHJJRWWZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20-17(19-21-15-9-3-4-10-16(15)22-19)18(24-11-5-6-12-24)13-7-1-2-8-14(13)23-20/h1-4,7-10H,5-6,11-12H2,(H,21,22)(H,23,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one is sourced from PubChem (CID 135464161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).