5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one

C14H8F2N2O2 — CID 43338650

IUPAC5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc(F)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H8F2N2O2/c15-9-3-1-7(5-10(9)16)13(19)8-2-4-11-12(6-8)18-14(20)17-11/h1-6H,(H2,17,18,20)
InChIKeyOVHXKHXBJHSWIE-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.37
Rot. Bonds2

About 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one

5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43338650) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43338650
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc(F)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H8F2N2O2/c15-9-3-1-7(5-10(9)16)13(19)8-2-4-11-12(6-8)18-14(20)17-11/h1-6H,(H2,17,18,20)
InChIKeyOVHXKHXBJHSWIE-UHFFFAOYSA-N
XLogP2.37
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338645
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
CID 117000378
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one
CID 103309353
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 115549761

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one (CID 43338650) is 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc(F)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OVHXKHXBJHSWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-9-3-1-7(5-10(9)16)13(19)8-2-4-11-12(6-8)18-14(20)17-11/h1-6H,(H2,17,18,20).
What are the key properties of 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 274.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43338650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).