2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole

C22H18N4 — CID 23610018

IUPAC2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole
SMILESc1ccc(C2=NN(c3nc4ccccc4[nH]3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H18N4/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)26(25-20)22-23-18-13-7-8-14-19(18)24-22/h1-14,21H,15H2,(H,23,24)
InChIKeyYGHUEECZJBAFJW-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.92
Rot. Bonds3

About 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole

2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole (PubChem CID 23610018) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole
PubChem CID23610018
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole
SMILESc1ccc(C2=NN(c3nc4ccccc4[nH]3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H18N4/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)26(25-20)22-23-18-13-7-8-14-19(18)24-22/h1-14,21H,15H2,(H,23,24)
InChIKeyYGHUEECZJBAFJW-UHFFFAOYSA-N
XLogP4.92
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole (CID 23610018) is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole is c1ccc(C2=NN(c3nc4ccccc4[nH]3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole?
The InChIKey is YGHUEECZJBAFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)26(25-20)22-23-18-13-7-8-14-19(18)24-22/h1-14,21H,15H2,(H,23,24).
What are the key properties of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole?
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole has a molecular weight of 338.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 23610018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).