5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one

C14H11BrN2O2S — CID 62351329

IUPAC5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3ccsc3)c(Br)cc21
InChIInChI=1S/C14H11BrN2O2S/c1-16-11-5-9(13(18)8-3-4-20-7-8)10(15)6-12(11)17(2)14(16)19/h3-7H,1-2H3
InChIKeyNGZDUFAAHUHWLI-UHFFFAOYSA-N
MW351.23 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one

5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one (PubChem CID 62351329) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one
PubChem CID62351329
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3ccsc3)c(Br)cc21
InChIInChI=1S/C14H11BrN2O2S/c1-16-11-5-9(13(18)8-3-4-20-7-8)10(15)6-12(11)17(2)14(16)19/h3-7H,1-2H3
InChIKeyNGZDUFAAHUHWLI-UHFFFAOYSA-N
XLogP2.93
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-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 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one?
The IUPAC name of 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one (CID 62351329) is 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one.
What is the SMILES notation for 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one?
The canonical SMILES for 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(=O)c3ccsc3)c(Br)cc21.
What is the InChIKey of 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one?
The InChIKey is NGZDUFAAHUHWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-16-11-5-9(13(18)8-3-4-20-7-8)10(15)6-12(11)17(2)14(16)19/h3-7H,1-2H3.
What are the key properties of 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one?
5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one has a molecular weight of 351.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-6-(thiophene-3-carbonyl)benzimidazol-2-one is sourced from PubChem (CID 62351329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).