1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one

C16H14BrFN2O — CID 115575620

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccc(Br)cc2F)c2ccccc21
InChIInChI=1S/C16H14BrFN2O/c1-2-19-14-5-3-4-6-15(14)20(16(19)21)10-11-7-8-12(17)9-13(11)18/h3-9H,2,10H2,1H3
InChIKeyXVTMBGGPJXXZSE-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.77
Rot. Bonds3

About 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one

1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one (PubChem CID 115575620) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one
PubChem CID115575620
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccc(Br)cc2F)c2ccccc21
InChIInChI=1S/C16H14BrFN2O/c1-2-19-14-5-3-4-6-15(14)20(16(19)21)10-11-7-8-12(17)9-13(11)18/h3-9H,2,10H2,1H3
InChIKeyXVTMBGGPJXXZSE-UHFFFAOYSA-N
XLogP3.77
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
CID 116621225
1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one
CID 15084548
1-[(4-bromo-2-fluorophenyl)methyl]-2-butylbenzimidazole
CID 19806376
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 90828095
ethyl 2-[10-[(4-bromo-2-fluorophenyl)methyl]-3,4-dioxo-[1,2,4]triazino[4,3-a]benzimidazol-2-yl]acetate
CID 11134548
1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64681971
2-[3-[(4-bromo-2-fluorophenyl)methyl]-5,7-dichloro-2,4-dioxoquinazolin-1-yl]acetic acid
CID 14458984
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 113446773

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one (CID 115575620) is 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one is CCn1c(=O)n(Cc2ccc(Br)cc2F)c2ccccc21.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
The InChIKey is XVTMBGGPJXXZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c1-2-19-14-5-3-4-6-15(14)20(16(19)21)10-11-7-8-12(17)9-13(11)18/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one has a molecular weight of 349.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 115575620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).