2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone

C15H10BrCl2N3OS — CID 6255195

IUPAC2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone
SMILESCc1nc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c2cc1Br
InChIInChI=1S/C15H10BrCl2N3OS/c1-7-9(16)5-12-14(19-7)21-15(20-12)23-6-13(22)8-2-3-10(17)11(18)4-8/h2-5H,6H2,1H3,(H,19,20,21)
InChIKeyHHPLNBKEZXCTOG-UHFFFAOYSA-N
MW431.14 g/mol
LogP5.31
Rot. Bonds4

About 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone

2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone (PubChem CID 6255195) has the molecular formula C15H10BrCl2N3OS and a molecular weight of 431.14 g/mol. Its IUPAC name is 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone
PubChem CID6255195
Molecular FormulaC15H10BrCl2N3OS
Molecular Weight431.14 g/mol
Exact Mass428.91
IUPAC Name2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone
SMILESCc1nc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c2cc1Br
InChIInChI=1S/C15H10BrCl2N3OS/c1-7-9(16)5-12-14(19-7)21-15(20-12)23-6-13(22)8-2-3-10(17)11(18)4-8/h2-5H,6H2,1H3,(H,19,20,21)
InChIKeyHHPLNBKEZXCTOG-UHFFFAOYSA-N
XLogP5.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.14
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 747420
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
CID 2828877
1-(4-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784
2-chloro-4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzenesulfonamide
CID 135566938
8-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
CID 165004518
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135488914
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135887538
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135450709
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22779188
1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 25249673
4-methyl-2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135929207

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone (CID 6255195) is 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone is Cc1nc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c2cc1Br.
What is the InChIKey of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is HHPLNBKEZXCTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3OS/c1-7-9(16)5-12-14(19-7)21-15(20-12)23-6-13(22)8-2-3-10(17)11(18)4-8/h2-5H,6H2,1H3,(H,19,20,21).
What are the key properties of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 431.14 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 6255195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).