2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole

C24H20N4O2 — CID 2343559

IUPAC2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C24H20N4O2/c1-29-19-13-12-16(14-20(19)30-2)23-21(22(27-28-23)15-8-4-3-5-9-15)24-25-17-10-6-7-11-18(17)26-24/h3-14H,1-2H3,(H,25,26)(H,27,28)
InChIKeyAVMMKZLFZHZUBA-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.30
Rot. Bonds5

About 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole

2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole (PubChem CID 2343559) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
PubChem CID2343559
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C24H20N4O2/c1-29-19-13-12-16(14-20(19)30-2)23-21(22(27-28-23)15-8-4-3-5-9-15)24-25-17-10-6-7-11-18(17)26-24/h3-14H,1-2H3,(H,25,26)(H,27,28)
InChIKeyAVMMKZLFZHZUBA-UHFFFAOYSA-N
XLogP5.30
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-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

Related Compounds

2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole
CID 3558151
2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2373893
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
CID 136663190
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
CID 1023805
2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
CID 154048615
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168554991

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole (CID 2343559) is 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole is COc1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The InChIKey is AVMMKZLFZHZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-29-19-13-12-16(14-20(19)30-2)23-21(22(27-28-23)15-8-4-3-5-9-15)24-25-17-10-6-7-11-18(17)26-24/h3-14H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole has a molecular weight of 396.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 2343559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).