N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

C14H9F2N3O2 — CID 110701322

IUPACN-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C14H9F2N3O2/c15-9-5-4-7(6-10(9)16)17-13(20)8-2-1-3-11-12(8)19-14(21)18-11/h1-6H,(H,17,20)(H2,18,19,21)
InChIKeyMYXQOYPEUKUEKQ-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.39
Rot. Bonds2

About N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (PubChem CID 110701322) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
PubChem CID110701322
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC NameN-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C14H9F2N3O2/c15-9-5-4-7(6-10(9)16)17-13(20)8-2-1-3-11-12(8)19-14(21)18-11/h1-6H,(H,17,20)(H2,18,19,21)
InChIKeyMYXQOYPEUKUEKQ-UHFFFAOYSA-N
XLogP2.39
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701251
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701230
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 150244858
N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497927
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
CID 115672322
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (CID 110701322) is N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The InChIKey is MYXQOYPEUKUEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-9-5-4-7(6-10(9)16)17-13(20)8-2-1-3-11-12(8)19-14(21)18-11/h1-6H,(H,17,20)(H2,18,19,21).
What are the key properties of N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide has a molecular weight of 289.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 110701322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).