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

C17H14F2N4O — CID 71717117

IUPAC1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-8-5-13(19)9-20-15)21-11(2)23(10)14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,20,22,24)
InChIKeyHMXXMRUSUGUVGR-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.41
Rot. Bonds3

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

1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide (PubChem CID 71717117) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
PubChem CID71717117
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-8-5-13(19)9-20-15)21-11(2)23(10)14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,20,22,24)
InChIKeyHMXXMRUSUGUVGR-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide (CID 71717117) is 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is HMXXMRUSUGUVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-8-5-13(19)9-20-15)21-11(2)23(10)14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,20,22,24).
What are the key properties of 1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide?
1-(4-fluorophenyl)-N-(5-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-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 71717117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).