N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C21H14F3N3O2 — CID 6489623

IUPACN-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C21H14F3N3O2/c22-14-4-1-12(2-5-14)11-27-19-8-3-13(9-18(19)26-21(27)29)20(28)25-17-7-6-15(23)10-16(17)24/h1-10H,11H2,(H,25,28)(H,26,29)
InChIKeyWLIWSJUXHUKFHI-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.05
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 6489623) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID6489623
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC NameN-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C21H14F3N3O2/c22-14-4-1-12(2-5-14)11-27-19-8-3-13(9-18(19)26-21(27)29)20(28)25-17-7-6-15(23)10-16(17)24/h1-10H,11H2,(H,25,28)(H,26,29)
InChIKeyWLIWSJUXHUKFHI-UHFFFAOYSA-N
XLogP4.05
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 6489623) is N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is WLIWSJUXHUKFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-14-4-1-12(2-5-14)11-27-19-8-3-13(9-18(19)26-21(27)29)20(28)25-17-7-6-15(23)10-16(17)24/h1-10H,11H2,(H,25,28)(H,26,29).
What are the key properties of N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 6489623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).