1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide

C17H14F2N4O — CID 71580443

IUPAC1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-5-3-4-14(19)21-15)20-11(2)23(10)13-8-6-12(18)7-9-13/h3-9H,1-2H3,(H,21,22,24)
InChIKeyVIYALWAZTQZAGV-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide

1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide (PubChem CID 71580443) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
PubChem CID71580443
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-5-3-4-14(19)21-15)20-11(2)23(10)13-8-6-12(18)7-9-13/h3-9H,1-2H3,(H,21,22,24)
InChIKeyVIYALWAZTQZAGV-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide
CID 71580330
N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide
CID 71580550
2-ethyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7599528
3-amino-6-methyl-N-(6-methylpyridin-2-yl)pyridine-2-carboxamide
CID 11333966
1-ethyl-3-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 15076567
N-[4-[7-(3-fluorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 52920521
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid (6-methyl-pyridin-2-yl)-amide
CID 655070
1-(6-methyl-2-pyridinyl)-N-(3-pyridinyl)-4-imidazolecarboxamide
CID 1491423
2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310029
9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
CID 5310314
N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 17393643
2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxamide
CID 53322288

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide (CID 71580443) is 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is VIYALWAZTQZAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-5-3-4-14(19)21-15)20-11(2)23(10)13-8-6-12(18)7-9-13/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 71580443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).