5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide

C13H11FN4O2 — CID 175826750

IUPAC5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(N)=O)n2C)c(C#N)c1F
InChIInChI=1S/C13H11FN4O2/c1-18-9(6-17-13(18)12(16)19)7-3-4-10(20-2)11(14)8(7)5-15/h3-4,6H,1-2H3,(H2,16,19)
InChIKeyITEFMMAWICIALV-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.21
Rot. Bonds3

About 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide

5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide (PubChem CID 175826750) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
PubChem CID175826750
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(N)=O)n2C)c(C#N)c1F
InChIInChI=1S/C13H11FN4O2/c1-18-9(6-17-13(18)12(16)19)7-3-4-10(20-2)11(14)8(7)5-15/h3-4,6H,1-2H3,(H2,16,19)
InChIKeyITEFMMAWICIALV-UHFFFAOYSA-N
XLogP1.21
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-cyano-2-fluoro-4-methoxybenzoate
CID 134647147
ethyl 2-(2-cyano-3-fluoro-4-methoxyphenyl)acetate
CID 134653984
ethane;2-fluoro-3-methoxy-6-methylbenzonitrile
CID 144958009
2-fluoro-6-(hydroxymethyl)-3-methoxybenzonitrile
CID 131297253
N-[4-[2-(2-aminoethoxy)ethylcarbamoyl]-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 168865163
N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 156807587
N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide;hydrochloride
CID 166463525
N-[4-[[3-(aminomethyl)cyclobutyl]methylcarbamoyl]-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 168865196
3-cyano-2-formyl-4-methoxybenzamide
CID 171013101
2-acetyl-3-fluoro-6-methoxybenzonitrile
CID 83410546
N-[4-[[3-(2-aminoethylcarbamoyl)cyclobutyl]carbamoyl]-3-ethylphenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 168865219
5-(2,3-difluoro-4-methoxyphenyl)-N-[4-[2-[2-(dimethylamino)ethoxy]ethylcarbamoyl]-3-ethylphenyl]-1-methylimidazole-2-carboxamide
CID 166463718

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide (CID 175826750) is 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide is COc1ccc(-c2cnc(C(N)=O)n2C)c(C#N)c1F.
What is the InChIKey of 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is ITEFMMAWICIALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-18-9(6-17-13(18)12(16)19)7-3-4-10(20-2)11(14)8(7)5-15/h3-4,6H,1-2H3,(H2,16,19).
What are the key properties of 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 274.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyano-3-fluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 175826750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).