N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide

C19H17F2N3O2S — CID 99713372

IUPACN-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H17F2N3O2S/c1-23(14-8-9-17(26-2)15(21)10-14)18(25)16-11-22-19(27-3)24(16)13-6-4-12(20)5-7-13/h4-11H,1-3H3
InChIKeyUVHAWPGPAWCBNQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.16
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide

N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide (PubChem CID 99713372) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide
PubChem CID99713372
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H17F2N3O2S/c1-23(14-8-9-17(26-2)15(21)10-14)18(25)16-11-22-19(27-3)24(16)13-6-4-12(20)5-7-13/h4-11H,1-3H3
InChIKeyUVHAWPGPAWCBNQ-UHFFFAOYSA-N
XLogP4.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 31491681
N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 55919005
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide
CID 16546636
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 18085557
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78796401
1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779326
3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 55957769
N-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 16548329
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55693544
(4-acetylphenyl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 16548538

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide (CID 99713372) is N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide is COc1ccc(N(C)C(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide?
The InChIKey is UVHAWPGPAWCBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-23(14-8-9-17(26-2)15(21)10-14)18(25)16-11-22-19(27-3)24(16)13-6-4-12(20)5-7-13/h4-11H,1-3H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide is sourced from PubChem (CID 99713372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).