3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide

C20H15FN4OS — CID 55515096

IUPAC3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cnc3ccccc3c2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H15FN4OS/c1-27-20-23-12-18(25(20)16-8-6-14(21)7-9-16)19(26)24-15-10-13-4-2-3-5-17(13)22-11-15/h2-12H,1H3,(H,24,26)
InChIKeyHUPHIMYVYRQCMQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.53
Rot. Bonds4

About 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide

3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide (PubChem CID 55515096) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
PubChem CID55515096
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cnc3ccccc3c2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H15FN4OS/c1-27-20-23-12-18(25(20)16-8-6-14(21)7-9-16)19(26)24-15-10-13-4-2-3-5-17(13)22-11-15/h2-12H,1H3,(H,24,26)
InChIKeyHUPHIMYVYRQCMQ-UHFFFAOYSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 34316971
3-(4-fluorophenyl)-N-(3-hydroxyphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78797233
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
N-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 16548329
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55363401
3-(4-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylimidazole-4-carboxamide
CID 18124051
N-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 16552781
3-(4-fluorophenyl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-methylsulfanylimidazole-4-carboxamide
CID 55671983
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 33311148
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55973799
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 31491681
3-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 16545585

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide (CID 55515096) is 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide is CSc1ncc(C(=O)Nc2cnc3ccccc3c2)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide?
The InChIKey is HUPHIMYVYRQCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-27-20-23-12-18(25(20)16-8-6-14(21)7-9-16)19(26)24-15-10-13-4-2-3-5-17(13)22-11-15/h2-12H,1H3,(H,24,26).
What are the key properties of 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide?
3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 55515096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).