3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide

C18H17FN4OS — CID 55957769

IUPAC3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)N(C)Cc2ccccn2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4OS/c1-22(12-14-5-3-4-10-20-14)17(24)16-11-21-18(25-2)23(16)15-8-6-13(19)7-9-15/h3-11H,12H2,1-2H3
InChIKeyFRXYSQGMEVJADM-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.40
Rot. Bonds5

About 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide

3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 55957769) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
PubChem CID55957769
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)N(C)Cc2ccccn2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4OS/c1-22(12-14-5-3-4-10-20-14)17(24)16-11-21-18(25-2)23(16)15-8-6-13(19)7-9-15/h3-11H,12H2,1-2H3
InChIKeyFRXYSQGMEVJADM-UHFFFAOYSA-N
XLogP3.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide
CID 16546636
3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-methylsulfanylimidazole-4-carboxamide
CID 38007921
3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-(pyrimidin-2-ylamino)ethyl]imidazole-4-carboxamide
CID 55647157
1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55993003
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78796401
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143718
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 18085557
3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide
CID 24642187
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55693544
3-(4-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylimidazole-4-carboxamide
CID 18124051
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 42986162
[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide (CID 55957769) is 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide is CSc1ncc(C(=O)N(C)Cc2ccccn2)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is FRXYSQGMEVJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-22(12-14-5-3-4-10-20-14)17(24)16-11-21-18(25-2)23(16)15-8-6-13(19)7-9-15/h3-11H,12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 55957769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).