2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole

C23H18N4O — CID 122189073

IUPAC2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H18N4O/c1-28-18-12-13-20-21(14-18)25-23(24-20)19-15-27(17-10-6-3-7-11-17)26-22(19)16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25)
InChIKeyLTPMSNLJOIKNNZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.09
Rot. Bonds4

About 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole

2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole (PubChem CID 122189073) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole
PubChem CID122189073
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H18N4O/c1-28-18-12-13-20-21(14-18)25-23(24-20)19-15-27(17-10-6-3-7-11-17)26-22(19)16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25)
InChIKeyLTPMSNLJOIKNNZ-UHFFFAOYSA-N
XLogP5.09
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole (CID 122189073) is 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole?
The InChIKey is LTPMSNLJOIKNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-28-18-12-13-20-21(14-18)25-23(24-20)19-15-27(17-10-6-3-7-11-17)26-22(19)16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25).
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole?
2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole has a molecular weight of 366.42 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 122189073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).