2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole

C22H16N4 — CID 7996519

IUPAC2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)
InChIKeyPQZOJXYSZWLDNP-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.08
Rot. Bonds3

About 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole

2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole (PubChem CID 7996519) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole
PubChem CID7996519
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)
InChIKeyPQZOJXYSZWLDNP-UHFFFAOYSA-N
XLogP5.08
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole (CID 7996519) is 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole is c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole?
The InChIKey is PQZOJXYSZWLDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24).
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole?
2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole has a molecular weight of 336.40 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 7996519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).