2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole

C23H18N4O — CID 2303842

IUPAC2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H18N4O/c1-28-17-13-11-16(12-14-17)22-20(21(26-27-22)15-7-3-2-4-8-15)23-24-18-9-5-6-10-19(18)25-23/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyFFNAWSGLSGJCBD-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.30
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole

2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole (PubChem CID 2303842) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
PubChem CID2303842
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H18N4O/c1-28-17-13-11-16(12-14-17)22-20(21(26-27-22)15-7-3-2-4-8-15)23-24-18-9-5-6-10-19(18)25-23/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyFFNAWSGLSGJCBD-UHFFFAOYSA-N
XLogP5.30
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole (CID 2303842) is 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole is COc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The InChIKey is FFNAWSGLSGJCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-28-17-13-11-16(12-14-17)22-20(21(26-27-22)15-7-3-2-4-8-15)23-24-18-9-5-6-10-19(18)25-23/h2-14H,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole has a molecular weight of 366.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 2303842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).