5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one

C14H10BrFN2O — CID 68805825

IUPAC5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2c(-c3ccc(F)cc3)cc(Br)cc21
InChIInChI=1S/C14H10BrFN2O/c1-18-12-7-9(15)6-11(13(12)17-14(18)19)8-2-4-10(16)5-3-8/h2-7H,1H3,(H,17,19)
InChIKeyOAPXUNPNSWPBSA-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.44
Rot. Bonds1

About 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one

5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one (PubChem CID 68805825) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one
PubChem CID68805825
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2c(-c3ccc(F)cc3)cc(Br)cc21
InChIInChI=1S/C14H10BrFN2O/c1-18-12-7-9(15)6-11(13(12)17-14(18)19)8-2-4-10(16)5-3-8/h2-7H,1H3,(H,17,19)
InChIKeyOAPXUNPNSWPBSA-UHFFFAOYSA-N
XLogP3.44
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one (CID 68805825) is 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2c(-c3ccc(F)cc3)cc(Br)cc21.
What is the InChIKey of 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one?
The InChIKey is OAPXUNPNSWPBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-18-12-7-9(15)6-11(13(12)17-14(18)19)8-2-4-10(16)5-3-8/h2-7H,1H3,(H,17,19).
What are the key properties of 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one?
5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one has a molecular weight of 321.15 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 68805825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).