2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole

C32H26N4O — CID 164610710

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1
InChIInChI=1S/C32H26N4O/c1-37-27-20-18-25(19-21-27)31-28(23-36(34-31)26-14-6-3-7-15-26)32-33-29-16-8-9-17-30(29)35(32)22-10-13-24-11-4-2-5-12-24/h2-21,23H,22H2,1H3/b13-10+
InChIKeyKWSFIRXMXRKJCC-JLHYYAGUSA-N
MW482.59 g/mol
LogP7.28
Rot. Bonds7

About 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole (PubChem CID 164610710) has the molecular formula C32H26N4O and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
PubChem CID164610710
Molecular FormulaC32H26N4O
Molecular Weight482.59 g/mol
Exact Mass482.21
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1
InChIInChI=1S/C32H26N4O/c1-37-27-20-18-25(19-21-27)31-28(23-36(34-31)26-14-6-3-7-15-26)32-33-29-16-8-9-17-30(29)35(32)22-10-13-24-11-4-2-5-12-24/h2-21,23H,22H2,1H3/b13-10+
InChIKeyKWSFIRXMXRKJCC-JLHYYAGUSA-N
XLogP7.28
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
1-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 91801232
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538790
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539410
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
2-(4-Methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 624456

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole (CID 164610710) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The InChIKey is KWSFIRXMXRKJCC-JLHYYAGUSA-N. The full InChI is InChI=1S/C32H26N4O/c1-37-27-20-18-25(19-21-27)31-28(23-36(34-31)26-14-6-3-7-15-26)32-33-29-16-8-9-17-30(29)35(32)22-10-13-24-11-4-2-5-12-24/h2-21,23H,22H2,1H3/b13-10+.
What are the key properties of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole has a molecular weight of 482.59 g/mol, XLogP of 7.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole is sourced from PubChem (CID 164610710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).