2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole

C25H22N4O — CID 122189105

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C25H22N4O/c1-16-13-22-23(14-17(16)2)27-25(26-22)21-15-29(19-7-5-4-6-8-19)28-24(21)18-9-11-20(30-3)12-10-18/h4-15H,1-3H3,(H,26,27)
InChIKeySQPKAVNKFWSYJI-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.71
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 122189105) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole
PubChem CID122189105
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C25H22N4O/c1-16-13-22-23(14-17(16)2)27-25(26-22)21-15-29(19-7-5-4-6-8-19)28-24(21)18-9-11-20(30-3)12-10-18/h4-15H,1-3H3,(H,26,27)
InChIKeySQPKAVNKFWSYJI-UHFFFAOYSA-N
XLogP5.71
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole (CID 122189105) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(C)c(C)cc3[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is SQPKAVNKFWSYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-16-13-22-23(14-17(16)2)27-25(26-22)21-15-29(19-7-5-4-6-8-19)28-24(21)18-9-11-20(30-3)12-10-18/h4-15H,1-3H3,(H,26,27).
What are the key properties of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 394.48 g/mol, XLogP of 5.71, 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]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 122189105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).