1-(3,5-difluorophenyl)-2-ethylbenzimidazole

C15H12F2N2 — CID 155179234

IUPAC1-(3,5-difluorophenyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N2/c1-2-15-18-13-5-3-4-6-14(13)19(15)12-8-10(16)7-11(17)9-12/h3-9H,2H2,1H3
InChIKeyBUFUKWLBPZTWPO-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.87
Rot. Bonds2

About 1-(3,5-difluorophenyl)-2-ethylbenzimidazole

1-(3,5-difluorophenyl)-2-ethylbenzimidazole (PubChem CID 155179234) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-ethylbenzimidazole
PubChem CID155179234
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name1-(3,5-difluorophenyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N2/c1-2-15-18-13-5-3-4-6-14(13)19(15)12-8-10(16)7-11(17)9-12/h3-9H,2H2,1H3
InChIKeyBUFUKWLBPZTWPO-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 142719530
3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
CID 135244703
2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole
CID 147266428
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2-ethylbenzimidazole
CID 162768111
2-ethyl-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235572
2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
CID 155173980
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 29075929
1-[4-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 169070890
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
22-[4-(2-ethylbenzimidazol-1-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475087

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-ethylbenzimidazole?
The IUPAC name of 1-(3,5-difluorophenyl)-2-ethylbenzimidazole (CID 155179234) is 1-(3,5-difluorophenyl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-ethylbenzimidazole?
The InChIKey is BUFUKWLBPZTWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-2-15-18-13-5-3-4-6-14(13)19(15)12-8-10(16)7-11(17)9-12/h3-9H,2H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-ethylbenzimidazole?
1-(3,5-difluorophenyl)-2-ethylbenzimidazole has a molecular weight of 258.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-ethylbenzimidazole is sourced from PubChem (CID 155179234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).