2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

C26H21F2N5O — CID 6479275

IUPAC2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(Cn1c(/C=C/c2ccccc2)nc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C26H21F2N5O/c27-20-11-12-21(22(28)14-20)26(34,15-32-18-29-17-30-32)16-33-24-9-5-4-8-23(24)31-25(33)13-10-19-6-2-1-3-7-19/h1-14,17-18,34H,15-16H2/b13-10+
InChIKeyPNRPHKINMRWCND-JLHYYAGUSA-N
MW457.48 g/mol
LogP4.66
Rot. Bonds7

About 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 6479275) has the molecular formula C26H21F2N5O and a molecular weight of 457.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID6479275
Molecular FormulaC26H21F2N5O
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC Name2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(Cn1c(/C=C/c2ccccc2)nc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C26H21F2N5O/c27-20-11-12-21(22(28)14-20)26(34,15-32-18-29-17-30-32)16-33-24-9-5-4-8-23(24)31-25(33)13-10-19-6-2-1-3-7-19/h1-14,17-18,34H,15-16H2/b13-10+
InChIKeyPNRPHKINMRWCND-JLHYYAGUSA-N
XLogP4.66
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 513486
2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 67879726
4-[2-[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-yl]ethenyl]phenol
CID 135970796
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
1-[3-[2-(2-chlorophenyl)ethenyl]pyrrol-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 67879733
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
2-(2,4-difluorophenyl)-1-[4-(2-phenylethynyl)pyrazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175009522
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridin-4-ylprop-2-enamide
CID 167442156
2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(1-hydroxyethoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 23052479
1-[(2-chlorophenyl)methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 56966763
(Z)-N-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-dimethylazaniumyl]benzenecarboximidate
CID 10739801

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 6479275) is 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cn1cncn1)(Cn1c(/C=C/c2ccccc2)nc2ccccc21)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is PNRPHKINMRWCND-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H21F2N5O/c27-20-11-12-21(22(28)14-20)26(34,15-32-18-29-17-30-32)16-33-24-9-5-4-8-23(24)31-25(33)13-10-19-6-2-1-3-7-19/h1-14,17-18,34H,15-16H2/b13-10+.
What are the key properties of 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 457.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 6479275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).