4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

C17H17N3OS — CID 23607611

IUPAC4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCn1c(C2CC(=O)N(Cc3cccs3)C2)nc2ccccc21
InChIInChI=1S/C17H17N3OS/c1-19-15-7-3-2-6-14(15)18-17(19)12-9-16(21)20(10-12)11-13-5-4-8-22-13/h2-8,12H,9-11H2,1H3
InChIKeyJGVQOMMQZLMSOF-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.15
Rot. Bonds3

About 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 23607611) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID23607611
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCn1c(C2CC(=O)N(Cc3cccs3)C2)nc2ccccc21
InChIInChI=1S/C17H17N3OS/c1-19-15-7-3-2-6-14(15)18-17(19)12-9-16(21)20(10-12)11-13-5-4-8-22-13/h2-8,12H,9-11H2,1H3
InChIKeyJGVQOMMQZLMSOF-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-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 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 23607611) is 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is Cn1c(C2CC(=O)N(Cc3cccs3)C2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is JGVQOMMQZLMSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-19-15-7-3-2-6-14(15)18-17(19)12-9-16(21)20(10-12)11-13-5-4-8-22-13/h2-8,12H,9-11H2,1H3.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 311.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 23607611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).