2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid

C24H18N4O3 — CID 135988693

IUPAC2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C24H18N4O3/c29-22-20(23-25-18-12-11-17(24(30)31)13-19(18)26-23)27-28(14-15-7-3-1-4-8-15)21(22)16-9-5-2-6-10-16/h1-13,29H,14H2,(H,25,26)(H,30,31)
InChIKeyPQBBUAPZONDSSL-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.55
Rot. Bonds5

About 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid

2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 135988693) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid
PubChem CID135988693
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C24H18N4O3/c29-22-20(23-25-18-12-11-17(24(30)31)13-19(18)26-23)27-28(14-15-7-3-1-4-8-15)21(22)16-9-5-2-6-10-16/h1-13,29H,14H2,(H,25,26)(H,30,31)
InChIKeyPQBBUAPZONDSSL-UHFFFAOYSA-N
XLogP4.55
TPSA104.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid (CID 135988693) is 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.
What is the InChIKey of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is PQBBUAPZONDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-22-20(23-25-18-12-11-17(24(30)31)13-19(18)26-23)27-28(14-15-7-3-1-4-8-15)21(22)16-9-5-2-6-10-16/h1-13,29H,14H2,(H,25,26)(H,30,31).
What are the key properties of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid?
2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 410.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 135988693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).