2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

C23H18N4 — CID 127044446

IUPAC2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
InChIKeyLYBBVPLEWYRNSH-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.39
Rot. Bonds3

About 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 127044446) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
PubChem CID127044446
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
InChIKeyLYBBVPLEWYRNSH-UHFFFAOYSA-N
XLogP5.39
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (CID 127044446) is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is LYBBVPLEWYRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25).
What are the key properties of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 350.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 127044446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).