4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C13H14N4O3S — CID 65365291

IUPAC4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ncc(S(=O)(=O)N2CC(=O)Nc3ccccc3C2)[nH]1
InChIInChI=1S/C13H14N4O3S/c1-9-14-6-13(15-9)21(19,20)17-7-10-4-2-3-5-11(10)16-12(18)8-17/h2-6H,7-8H2,1H3,(H,14,15)(H,16,18)
InChIKeyFYTQEWLSRJLIBA-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.86
Rot. Bonds2

About 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 65365291) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID65365291
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ncc(S(=O)(=O)N2CC(=O)Nc3ccccc3C2)[nH]1
InChIInChI=1S/C13H14N4O3S/c1-9-14-6-13(15-9)21(19,20)17-7-10-4-2-3-5-11(10)16-12(18)8-17/h2-6H,7-8H2,1H3,(H,14,15)(H,16,18)
InChIKeyFYTQEWLSRJLIBA-UHFFFAOYSA-N
XLogP0.86
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-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-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 65365291) is 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is Cc1ncc(S(=O)(=O)N2CC(=O)Nc3ccccc3C2)[nH]1.
What is the InChIKey of 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is FYTQEWLSRJLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-9-14-6-13(15-9)21(19,20)17-7-10-4-2-3-5-11(10)16-12(18)8-17/h2-6H,7-8H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 306.35 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 65365291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).