5,6-difluoro-1-(1-phenylethyl)benzimidazole

C15H12F2N2 — CID 116620795

IUPAC5,6-difluoro-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C15H12F2N2/c1-10(11-5-3-2-4-6-11)19-9-18-14-7-12(16)13(17)8-15(14)19/h2-10H,1H3
InChIKeyFZZCMBIODSCYSE-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.92
Rot. Bonds2

About 5,6-difluoro-1-(1-phenylethyl)benzimidazole

5,6-difluoro-1-(1-phenylethyl)benzimidazole (PubChem CID 116620795) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5,6-difluoro-1-(1-phenylethyl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-(1-phenylethyl)benzimidazole
PubChem CID116620795
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name5,6-difluoro-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C15H12F2N2/c1-10(11-5-3-2-4-6-11)19-9-18-14-7-12(16)13(17)8-15(14)19/h2-10H,1H3
InChIKeyFZZCMBIODSCYSE-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-phenylethyl]benzimidazol-5-amine
CID 687989
(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid
CID 93312444
2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid
CID 113373538
N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62564290
(6-fluoro-1-propan-2-ylbenzimidazol-5-yl)boronic acid
CID 75485922
2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 116620839
1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 2961516
3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one
CID 116691892
1-[(4-fluorophenyl)-phenylmethyl]benzimidazole
CID 54576777
1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2,2-dimethoxyethanone
CID 167321275
5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
CID 102940721
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-(1-phenylethyl)benzimidazole?
The IUPAC name of 5,6-difluoro-1-(1-phenylethyl)benzimidazole (CID 116620795) is 5,6-difluoro-1-(1-phenylethyl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-(1-phenylethyl)benzimidazole?
The canonical SMILES for 5,6-difluoro-1-(1-phenylethyl)benzimidazole is CC(c1ccccc1)n1cnc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-(1-phenylethyl)benzimidazole?
The InChIKey is FZZCMBIODSCYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-10(11-5-3-2-4-6-11)19-9-18-14-7-12(16)13(17)8-15(14)19/h2-10H,1H3.
What are the key properties of 5,6-difluoro-1-(1-phenylethyl)benzimidazole?
5,6-difluoro-1-(1-phenylethyl)benzimidazole has a molecular weight of 258.27 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(1-phenylethyl)benzimidazole is sourced from PubChem (CID 116620795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).