1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole

C22H14F3N5 — CID 25169392

IUPAC1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)c(F)c3)nn2)c1
InChIInChI=1S/C22H14F3N5/c23-15-5-3-4-14(10-15)22-26-20-6-1-2-7-21(20)29(22)12-16-13-30(28-27-16)17-8-9-18(24)19(25)11-17/h1-11,13H,12H2
InChIKeyGCDVOIQELKPMIN-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.75
Rot. Bonds4

About 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole

1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole (PubChem CID 25169392) has the molecular formula C22H14F3N5 and a molecular weight of 405.38 g/mol. Its IUPAC name is 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole
PubChem CID25169392
Molecular FormulaC22H14F3N5
Molecular Weight405.38 g/mol
Exact Mass405.12
IUPAC Name1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole
SMILESFc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)c(F)c3)nn2)c1
InChIInChI=1S/C22H14F3N5/c23-15-5-3-4-14(10-15)22-26-20-6-1-2-7-21(20)29(22)12-16-13-30(28-27-16)17-8-9-18(24)19(25)11-17/h1-11,13H,12H2
InChIKeyGCDVOIQELKPMIN-UHFFFAOYSA-N
XLogP4.75
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole?
The IUPAC name of 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole (CID 25169392) is 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole.
What is the SMILES notation for 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole?
The canonical SMILES for 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole is Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)c(F)c3)nn2)c1.
What is the InChIKey of 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole?
The InChIKey is GCDVOIQELKPMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5/c23-15-5-3-4-14(10-15)22-26-20-6-1-2-7-21(20)29(22)12-16-13-30(28-27-16)17-8-9-18(24)19(25)11-17/h1-11,13H,12H2.
What are the key properties of 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole?
1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole has a molecular weight of 405.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole is sourced from PubChem (CID 25169392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).