5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one

C14H10Br2N2O2S — CID 80534198

IUPAC5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3cc(Br)c(Br)s3)ccc21
InChIInChI=1S/C14H10Br2N2O2S/c1-17-9-4-3-7(5-10(9)18(2)14(17)20)12(19)11-6-8(15)13(16)21-11/h3-6H,1-2H3
InChIKeyLCCODYPRFAKFTD-UHFFFAOYSA-N
MW430.12 g/mol
LogP3.69
Rot. Bonds2

About 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one

5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 80534198) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID80534198
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3cc(Br)c(Br)s3)ccc21
InChIInChI=1S/C14H10Br2N2O2S/c1-17-9-4-3-7(5-10(9)18(2)14(17)20)12(19)11-6-8(15)13(16)21-11/h3-6H,1-2H3
InChIKeyLCCODYPRFAKFTD-UHFFFAOYSA-N
XLogP3.69
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-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-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one (CID 80534198) is 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(=O)c3cc(Br)c(Br)s3)ccc21.
What is the InChIKey of 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is LCCODYPRFAKFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c1-17-9-4-3-7(5-10(9)18(2)14(17)20)12(19)11-6-8(15)13(16)21-11/h3-6H,1-2H3.
What are the key properties of 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 430.12 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 80534198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).