5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one

C14H10BrFN2O — CID 59437286

IUPAC5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccc(F)cc2)c2ccc(Br)cc21
InChIInChI=1S/C14H10BrFN2O/c1-17-13-8-9(15)2-7-12(13)18(14(17)19)11-5-3-10(16)4-6-11/h2-8H,1H3
InChIKeyFWVSQCYUZBPDTR-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.23
Rot. Bonds1

About 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one

5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one (PubChem CID 59437286) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one
PubChem CID59437286
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccc(F)cc2)c2ccc(Br)cc21
InChIInChI=1S/C14H10BrFN2O/c1-17-13-8-9(15)2-7-12(13)18(14(17)19)11-5-3-10(16)4-6-11/h2-8H,1H3
InChIKeyFWVSQCYUZBPDTR-UHFFFAOYSA-N
XLogP3.23
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one (CID 59437286) is 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one is Cn1c(=O)n(-c2ccc(F)cc2)c2ccc(Br)cc21.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one?
The InChIKey is FWVSQCYUZBPDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-17-13-8-9(15)2-7-12(13)18(14(17)19)11-5-3-10(16)4-6-11/h2-8H,1H3.
What are the key properties of 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one?
5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one has a molecular weight of 321.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)-3-methylbenzimidazol-2-one is sourced from PubChem (CID 59437286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).