2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol

C37H34N8O2 — CID 159429170

IUPAC2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C)cc2[nH]1.Cc1ccc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C19H18N4O.C18H16N4O/c1-12-9-10-14-15(11-12)21-19(20-14)17-18(24-3)16(22-23(17)2)13-7-5-4-6-8-13;1-11-8-9-13-14(10-11)20-18(19-13)16-17(23)15(21-22(16)2)12-6-4-3-5-7-12/h4-11H,1-3H3,(H,20,21);3-10,23H,1-2H3,(H,19,20)
InChIKeyLQTMUIWKDWKJMZ-UHFFFAOYSA-N
MW622.73 g/mol
LogP7.59
Rot. Bonds5

About 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol

2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol (PubChem CID 159429170) has the molecular formula C37H34N8O2 and a molecular weight of 622.73 g/mol. Its IUPAC name is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol.

Molecular Properties

Compound Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol
PubChem CID159429170
Molecular FormulaC37H34N8O2
Molecular Weight622.73 g/mol
Exact Mass622.28
IUPAC Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C)cc2[nH]1.Cc1ccc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C19H18N4O.C18H16N4O/c1-12-9-10-14-15(11-12)21-19(20-14)17-18(24-3)16(22-23(17)2)13-7-5-4-6-8-13;1-11-8-9-13-14(10-11)20-18(19-13)16-17(23)15(21-22(16)2)12-6-4-3-5-7-12/h4-11H,1-3H3,(H,20,21);3-10,23H,1-2H3,(H,19,20)
InChIKeyLQTMUIWKDWKJMZ-UHFFFAOYSA-N
XLogP7.59
TPSA122.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 57.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzoimidazole-5-carboxamidine
CID 135403661
1-Methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol
CID 135857351
3-[4-(Morpholin-4-ylmethyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
CID 135857382
CID 135857393
CID 135857393
3-[4-(2-Fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988626
1-Methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethoxy)phenyl]phenyl]pyrazol-4-ol
CID 135988632
6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile
CID 135988645
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
CID 135988679
3-[4-(4-Fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988690
5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol
CID 135988724
2-[4-hydroxy-5-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135988737
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-ol
CID 135988755

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol?
The IUPAC name of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol (CID 159429170) is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol.
What is the SMILES notation for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol?
The canonical SMILES for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol is COc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C)cc2[nH]1.Cc1ccc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2c1.
What is the InChIKey of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol?
The InChIKey is LQTMUIWKDWKJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C18H16N4O/c1-12-9-10-14-15(11-12)21-19(20-14)17-18(24-3)16(22-23(17)2)13-7-5-4-6-8-13;1-11-8-9-13-14(10-11)20-18(19-13)16-17(23)15(21-22(16)2)12-6-4-3-5-7-12/h4-11H,1-3H3,(H,20,21);3-10,23H,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol?
2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol has a molecular weight of 622.73 g/mol, XLogP of 7.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol is sourced from PubChem (CID 159429170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).