5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol

C17H14N4O2 — CID 135988749

IUPAC5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESCOc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C17H14N4O2/c1-23-11-7-8-12-13(9-11)19-17(18-12)15-16(22)14(20-21-15)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,18,19)(H,20,21)
InChIKeyCGJZHAXQNPIXKO-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.33
Rot. Bonds3

About 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol

5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (PubChem CID 135988749) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
PubChem CID135988749
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESCOc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C17H14N4O2/c1-23-11-7-8-12-13(9-11)19-17(18-12)15-16(22)14(20-21-15)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,18,19)(H,20,21)
InChIKeyCGJZHAXQNPIXKO-UHFFFAOYSA-N
XLogP3.33
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (CID 135988749) is 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is COc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1.
What is the InChIKey of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is CGJZHAXQNPIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-11-7-8-12-13(9-11)19-17(18-12)15-16(22)14(20-21-15)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol has a molecular weight of 306.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 135988749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).