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

C21H18FN3S — CID 20890588

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(SCc3cccc(F)c3)nc3ccncc32)cc1
InChIInChI=1S/C21H18FN3S/c1-15-5-7-16(8-6-15)13-25-20-12-23-10-9-19(20)24-21(25)26-14-17-3-2-4-18(22)11-17/h2-12H,13-14H2,1H3
InChIKeyNOMARPIBUATXDX-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.22
Rot. Bonds5

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

2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine (PubChem CID 20890588) has the molecular formula C21H18FN3S and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
PubChem CID20890588
Molecular FormulaC21H18FN3S
Molecular Weight363.46 g/mol
Exact Mass363.12
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(SCc3cccc(F)c3)nc3ccncc32)cc1
InChIInChI=1S/C21H18FN3S/c1-15-5-7-16(8-6-15)13-25-20-12-23-10-9-19(20)24-21(25)26-14-17-3-2-4-18(22)11-17/h2-12H,13-14H2,1H3
InChIKeyNOMARPIBUATXDX-UHFFFAOYSA-N
XLogP5.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890877
N-[(4-fluorophenyl)methyl]-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891229
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890697
N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890530
3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890837
4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46288282
3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890667
3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20886912
[4-[[3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 20891018
N-(3-methylbutyl)-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891224
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one
CID 22518637

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine (CID 20890588) is 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine is Cc1ccc(Cn2c(SCc3cccc(F)c3)nc3ccncc32)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is NOMARPIBUATXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3S/c1-15-5-7-16(8-6-15)13-25-20-12-23-10-9-19(20)24-21(25)26-14-17-3-2-4-18(22)11-17/h2-12H,13-14H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine?
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 363.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 20890588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).