5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one

C14H8ClFN2O2 — CID 43338645

IUPAC5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H8ClFN2O2/c15-8-2-3-10(16)9(6-8)13(19)7-1-4-11-12(5-7)18-14(20)17-11/h1-6H,(H2,17,18,20)
InChIKeyHLGBWJDFEAKSFH-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.88
Rot. Bonds2

About 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one

5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43338645) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43338645
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H8ClFN2O2/c15-8-2-3-10(16)9(6-8)13(19)7-1-4-11-12(5-7)18-14(20)17-11/h1-6H,(H2,17,18,20)
InChIKeyHLGBWJDFEAKSFH-UHFFFAOYSA-N
XLogP2.88
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 115549761
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
5-chloro-2-fluorobenzoyl chloride
CID 2773604
5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 103400340

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one (CID 43338645) is 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HLGBWJDFEAKSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-8-2-3-10(16)9(6-8)13(19)7-1-4-11-12(5-7)18-14(20)17-11/h1-6H,(H2,17,18,20).
What are the key properties of 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 290.68 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43338645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).