2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole

C23H17F3N4 — CID 136754201

IUPAC2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(C2CC(c3nc4ccccc4[nH]3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H17F3N4/c24-23(25,26)16-12-10-15(11-13-16)21-14-20(29-30(21)17-6-2-1-3-7-17)22-27-18-8-4-5-9-19(18)28-22/h1-13,21H,14H2,(H,27,28)
InChIKeyHIPVDJNSWYRMSL-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.94
Rot. Bonds3

About 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole

2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole (PubChem CID 136754201) has the molecular formula C23H17F3N4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole
PubChem CID136754201
Molecular FormulaC23H17F3N4
Molecular Weight406.41 g/mol
Exact Mass406.14
IUPAC Name2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(C2CC(c3nc4ccccc4[nH]3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H17F3N4/c24-23(25,26)16-12-10-15(11-13-16)21-14-20(29-30(21)17-6-2-1-3-7-17)22-27-18-8-4-5-9-19(18)28-22/h1-13,21H,14H2,(H,27,28)
InChIKeyHIPVDJNSWYRMSL-UHFFFAOYSA-N
XLogP5.94
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-benzimidazole
CID 135924243
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole
CID 23610018
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
CID 133180308
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 101464946
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
1-[(3R)-5-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-chloropropan-1-one
CID 136720557
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505893
(5S)-5-phenyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydrotriazole
CID 139205001
5-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 118855465
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole (CID 136754201) is 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole is FC(F)(F)c1ccc(C2CC(c3nc4ccccc4[nH]3)=NN2c2ccccc2)cc1.
What is the InChIKey of 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole?
The InChIKey is HIPVDJNSWYRMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4/c24-23(25,26)16-12-10-15(11-13-16)21-14-20(29-30(21)17-6-2-1-3-7-17)22-27-18-8-4-5-9-19(18)28-22/h1-13,21H,14H2,(H,27,28).
What are the key properties of 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole?
2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole has a molecular weight of 406.41 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136754201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).