3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine

C20H15ClFN3S — CID 20890667

IUPAC3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESFc1ccc(CSc2nc3ccncc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H15ClFN3S/c21-17-4-2-1-3-15(17)12-25-19-11-23-10-9-18(19)24-20(25)26-13-14-5-7-16(22)8-6-14/h1-11H,12-13H2
InChIKeyUURVDVCUBMGXER-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.56
Rot. Bonds5

About 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine

3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine (PubChem CID 20890667) has the molecular formula C20H15ClFN3S and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
PubChem CID20890667
Molecular FormulaC20H15ClFN3S
Molecular Weight383.88 g/mol
Exact Mass383.07
IUPAC Name3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESFc1ccc(CSc2nc3ccncc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H15ClFN3S/c21-17-4-2-1-3-15(17)12-25-19-11-23-10-9-18(19)24-20(25)26-13-14-5-7-16(22)8-6-14/h1-11H,12-13H2
InChIKeyUURVDVCUBMGXER-UHFFFAOYSA-N
XLogP5.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine 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

N-[(2-chlorophenyl)methyl]-4-[[3-[(2-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887104
3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20886912
N-[(2-chlorophenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288182
azepan-1-yl-[4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone
CID 20891272
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(4-fluorophenyl)benzamide
CID 46288207
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 20890635
azepan-1-yl-[4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone
CID 46288212
N-cyclopentyl-4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 15945519
7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
CID 3309804
N-[(3-fluorophenyl)methyl]-4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide;oxalic acid
CID 146051877
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 20891065

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine (CID 20890667) is 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine is Fc1ccc(CSc2nc3ccncc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The InChIKey is UURVDVCUBMGXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3S/c21-17-4-2-1-3-15(17)12-25-19-11-23-10-9-18(19)24-20(25)26-13-14-5-7-16(22)8-6-14/h1-11H,12-13H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine has a molecular weight of 383.88 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 20890667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).