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

C22H16N4 — CID 821749

IUPAC2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4/c1-3-9-15(10-4-1)20-19(21(26-25-20)16-11-5-2-6-12-16)22-23-17-13-7-8-14-18(17)24-22/h1-14H,(H,23,24)(H,25,26)
InChIKeyNQAXYBQXUYYVSO-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.29
Rot. Bonds3

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

2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole (PubChem CID 821749) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole
PubChem CID821749
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4/c1-3-9-15(10-4-1)20-19(21(26-25-20)16-11-5-2-6-12-16)22-23-17-13-7-8-14-18(17)24-22/h1-14H,(H,23,24)(H,25,26)
InChIKeyNQAXYBQXUYYVSO-UHFFFAOYSA-N
XLogP5.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole (CID 821749) is 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole is c1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The InChIKey is NQAXYBQXUYYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-3-9-15(10-4-1)20-19(21(26-25-20)16-11-5-2-6-12-16)22-23-17-13-7-8-14-18(17)24-22/h1-14H,(H,23,24)(H,25,26).
What are the key properties of 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole?
2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole has a molecular weight of 336.40 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1H-pyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 821749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).