1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide

C17H19N5O4S — CID 47080525

IUPAC1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N5O4S/c1-12-18-8-9-22(12)14-7-5-4-6-13(14)10-19-27(25,26)15-11-20(2)17(24)21(3)16(15)23/h4-9,11,19H,10H2,1-3H3
InChIKeyPRVAZKGAOLPOCZ-UHFFFAOYSA-N
MW389.44 g/mol
LogP0.06
Rot. Bonds5

About 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide

1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 47080525) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID47080525
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N5O4S/c1-12-18-8-9-22(12)14-7-5-4-6-13(14)10-19-27(25,26)15-11-20(2)17(24)21(3)16(15)23/h4-9,11,19H,10H2,1-3H3
InChIKeyPRVAZKGAOLPOCZ-UHFFFAOYSA-N
XLogP0.06
TPSA107.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide 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 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide (CID 47080525) is 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide is Cc1nccn1-c1ccccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is PRVAZKGAOLPOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-12-18-8-9-22(12)14-7-5-4-6-13(14)10-19-27(25,26)15-11-20(2)17(24)21(3)16(15)23/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide?
1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 47080525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).