1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole

C29H22N4O — CID 2836105

IUPAC1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C29H22N4O/c1-34-24-18-16-22(17-19-24)29-30-25-14-8-9-15-27(25)32(29)28-20-26(21-10-4-2-5-11-21)31-33(28)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeySPQBKLSFTDCVPD-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.55
Rot. Bonds5

About 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole

1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole (PubChem CID 2836105) has the molecular formula C29H22N4O and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole
PubChem CID2836105
Molecular FormulaC29H22N4O
Molecular Weight442.52 g/mol
Exact Mass442.18
IUPAC Name1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C29H22N4O/c1-34-24-18-16-22(17-19-24)29-30-25-14-8-9-15-27(25)32(29)28-20-26(21-10-4-2-5-11-21)31-33(28)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeySPQBKLSFTDCVPD-UHFFFAOYSA-N
XLogP6.55
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole (CID 2836105) is 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole?
The InChIKey is SPQBKLSFTDCVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O/c1-34-24-18-16-22(17-19-24)29-30-25-14-8-9-15-27(25)32(29)28-20-26(21-10-4-2-5-11-21)31-33(28)23-12-6-3-7-13-23/h2-20H,1H3.
What are the key properties of 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole?
1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole has a molecular weight of 442.52 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-5-yl)-2-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 2836105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).