3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

C21H23N5O — CID 133410279

IUPAC3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1C(N2CCN(c3nc4ccccc4[nH]3)CC2)CCN1c1ccccc1
InChIInChI=1S/C21H23N5O/c27-20-19(10-11-26(20)16-6-2-1-3-7-16)24-12-14-25(15-13-24)21-22-17-8-4-5-9-18(17)23-21/h1-9,19H,10-15H2,(H,22,23)
InChIKeyGTKBCHPRKWDITF-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.49
Rot. Bonds3

About 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 133410279) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID133410279
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1C(N2CCN(c3nc4ccccc4[nH]3)CC2)CCN1c1ccccc1
InChIInChI=1S/C21H23N5O/c27-20-19(10-11-26(20)16-6-2-1-3-7-16)24-12-14-25(15-13-24)21-22-17-8-4-5-9-18(17)23-21/h1-9,19H,10-15H2,(H,22,23)
InChIKeyGTKBCHPRKWDITF-UHFFFAOYSA-N
XLogP2.49
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-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

Related Compounds

(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one
CID 122133822
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
2-[4-(oxan-4-yl)-1,4-diazepan-1-yl]-1H-benzimidazole
CID 133410388
3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133460739
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133464768
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
3-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133401831
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 133410279) is 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is O=C1C(N2CCN(c3nc4ccccc4[nH]3)CC2)CCN1c1ccccc1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is GTKBCHPRKWDITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-20-19(10-11-26(20)16-6-2-1-3-7-16)24-12-14-25(15-13-24)21-22-17-8-4-5-9-18(17)23-21/h1-9,19H,10-15H2,(H,22,23).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 133410279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).