4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide

C12H10F3N3O2 — CID 175826734

IUPAC4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide
SMILESCn1cc(-c2ccc(OC(F)F)c(F)c2)nc1C(N)=O
InChIInChI=1S/C12H10F3N3O2/c1-18-5-8(17-11(18)10(16)19)6-2-3-9(7(13)4-6)20-12(14)15/h2-5,12H,1H3,(H2,16,19)
InChIKeyJPQJFVZMUSJFIQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.93
Rot. Bonds4

About 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide

4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide (PubChem CID 175826734) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide
PubChem CID175826734
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide
SMILESCn1cc(-c2ccc(OC(F)F)c(F)c2)nc1C(N)=O
InChIInChI=1S/C12H10F3N3O2/c1-18-5-8(17-11(18)10(16)19)6-2-3-9(7(13)4-6)20-12(14)15/h2-5,12H,1H3,(H2,16,19)
InChIKeyJPQJFVZMUSJFIQ-UHFFFAOYSA-N
XLogP1.93
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
1-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628835
ethane;ethyl 4-(4-bromophenyl)-1-methylimidazole-2-carboxylate
CID 143461220
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
CID 175535923
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
dimethyl 3-[4-(difluoromethoxy)-3-fluorophenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387687
6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 95478846
2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide
CID 139606181

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide (CID 175826734) is 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide is Cn1cc(-c2ccc(OC(F)F)c(F)c2)nc1C(N)=O.
What is the InChIKey of 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide?
The InChIKey is JPQJFVZMUSJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-18-5-8(17-11(18)10(16)19)6-2-3-9(7(13)4-6)20-12(14)15/h2-5,12H,1H3,(H2,16,19).
What are the key properties of 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide?
4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 175826734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).