2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

C20H12F4N4O — CID 58279284

IUPAC2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(F)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12
InChIInChI=1S/C20H12F4N4O/c21-10-4-5-12(18(23)24)13(7-10)19-26-15-9-11(22)8-14(17(15)28-19)20(29)27-16-3-1-2-6-25-16/h1-9,18H,(H,26,28)(H,25,27,29)
InChIKeyVYAPEJMFQPHWQX-UHFFFAOYSA-N
MW400.34 g/mol
LogP5.09
Rot. Bonds4

About 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58279284) has the molecular formula C20H12F4N4O and a molecular weight of 400.34 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID58279284
Molecular FormulaC20H12F4N4O
Molecular Weight400.34 g/mol
Exact Mass400.09
IUPAC Name2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(F)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12
InChIInChI=1S/C20H12F4N4O/c21-10-4-5-12(18(23)24)13(7-10)19-26-15-9-11(22)8-14(17(15)28-19)20(29)27-16-3-1-2-6-25-16/h1-9,18H,(H,26,28)(H,25,27,29)
InChIKeyVYAPEJMFQPHWQX-UHFFFAOYSA-N
XLogP5.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.34
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (CID 58279284) is 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccn1)c1cc(F)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is VYAPEJMFQPHWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O/c21-10-4-5-12(18(23)24)13(7-10)19-26-15-9-11(22)8-14(17(15)28-19)20(29)27-16-3-1-2-6-25-16/h1-9,18H,(H,26,28)(H,25,27,29).
What are the key properties of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 400.34 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).