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

C23H18N4O — CID 122189098

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
InChIKeyOIURMUZLFZOZIM-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.09
Rot. Bonds4

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

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 122189098) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
PubChem CID122189098
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
InChIKeyOIURMUZLFZOZIM-UHFFFAOYSA-N
XLogP5.09
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (CID 122189098) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is OIURMUZLFZOZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)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-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 366.42 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 122189098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).