N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide

C11H9F2N3O — CID 110467265

IUPACN-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H9F2N3O/c1-16-5-4-14-10(16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)
InChIKeyDLPHAYFVPAPOGM-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.95
Rot. Bonds2

About N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide

N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide (PubChem CID 110467265) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
PubChem CID110467265
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC NameN-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H9F2N3O/c1-16-5-4-14-10(16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)
InChIKeyDLPHAYFVPAPOGM-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 110863637
1-(2,4-difluorophenyl)-3-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390775
1-(2,4-difluorophenyl)-3-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390773
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
1-(2,4-difluorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430485
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 91156888
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
4-methoxy-2-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467377
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide (CID 110467265) is N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is DLPHAYFVPAPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-16-5-4-14-10(16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17).
What are the key properties of N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide?
N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 237.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 110467265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).