2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole

C23H19F3N2S — CID 134084039

IUPAC2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(-c3cc(F)ccc3F)n(Cc3ccccc3F)c2c1
InChIInChI=1S/C23H19F3N2S/c1-2-11-29-17-8-10-21-22(13-17)28(14-15-5-3-4-6-19(15)25)23(27-21)18-12-16(24)7-9-20(18)26/h3-10,12-13H,2,11,14H2,1H3
InChIKeyFFXIQNRDYOKHBN-UHFFFAOYSA-N
MW412.48 g/mol
LogP6.67
Rot. Bonds6

About 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole

2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole (PubChem CID 134084039) has the molecular formula C23H19F3N2S and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole
PubChem CID134084039
Molecular FormulaC23H19F3N2S
Molecular Weight412.48 g/mol
Exact Mass412.12
IUPAC Name2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(-c3cc(F)ccc3F)n(Cc3ccccc3F)c2c1
InChIInChI=1S/C23H19F3N2S/c1-2-11-29-17-8-10-21-22(13-17)28(14-15-5-3-4-6-19(15)25)23(27-21)18-12-16(24)7-9-20(18)26/h3-10,12-13H,2,11,14H2,1H3
InChIKeyFFXIQNRDYOKHBN-UHFFFAOYSA-N
XLogP6.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-2-(2-methylpropyl)-6-propylsulfanylbenzimidazole
CID 134084026
1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole
CID 134083749
1-hexyl-2-(2-methylphenyl)-6-propylsulfanylbenzimidazole
CID 134084052
2-(2,4-dichlorophenyl)-1-hexyl-6-propylsulfanylbenzimidazole
CID 134084050
1-hexyl-2-(4-phenylphenyl)-6-propylsulfanylbenzimidazole
CID 134084042
2-(2-phenylethyl)-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084001
1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
CID 134083751
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
CID 134084077

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole?
The IUPAC name of 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole (CID 134084039) is 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole is CCCSc1ccc2nc(-c3cc(F)ccc3F)n(Cc3ccccc3F)c2c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole?
The InChIKey is FFXIQNRDYOKHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2S/c1-2-11-29-17-8-10-21-22(13-17)28(14-15-5-3-4-6-19(15)25)23(27-21)18-12-16(24)7-9-20(18)26/h3-10,12-13H,2,11,14H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole?
2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole has a molecular weight of 412.48 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole is sourced from PubChem (CID 134084039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).