4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one

C17H13N3OS — CID 1249990

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(CSc2nc3ccccc3[nH]2)c2ccccc2[nH]1
InChIInChI=1S/C17H13N3OS/c21-16-9-11(12-5-1-2-6-13(12)18-16)10-22-17-19-14-7-3-4-8-15(14)20-17/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyDMQVURCUYLEEGP-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.70
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one

4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one (PubChem CID 1249990) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
PubChem CID1249990
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(CSc2nc3ccccc3[nH]2)c2ccccc2[nH]1
InChIInChI=1S/C17H13N3OS/c21-16-9-11(12-5-1-2-6-13(12)18-16)10-22-17-19-14-7-3-4-8-15(14)20-17/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyDMQVURCUYLEEGP-UHFFFAOYSA-N
XLogP3.70
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-benzimidazol-2-ylsulfanylmethyl)-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 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one (CID 1249990) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is O=c1cc(CSc2nc3ccccc3[nH]2)c2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The InChIKey is DMQVURCUYLEEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16-9-11(12-5-1-2-6-13(12)18-16)10-22-17-19-14-7-3-4-8-15(14)20-17/h1-9H,10H2,(H,18,21)(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one has a molecular weight of 307.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 1249990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).