4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol

C22H16N4O — CID 4069724

IUPAC4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O/c27-16-12-10-15(11-13-16)21-19(20(25-26-21)14-6-2-1-3-7-14)22-23-17-8-4-5-9-18(17)24-22/h1-13,27H,(H,23,24)(H,25,26)
InChIKeyDCNNGRWVSZGDQX-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.99
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol

4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol (PubChem CID 4069724) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
PubChem CID4069724
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O/c27-16-12-10-15(11-13-16)21-19(20(25-26-21)14-6-2-1-3-7-14)22-23-17-8-4-5-9-18(17)24-22/h1-13,27H,(H,23,24)(H,25,26)
InChIKeyDCNNGRWVSZGDQX-UHFFFAOYSA-N
XLogP4.99
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol (CID 4069724) is 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol is Oc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The InChIKey is DCNNGRWVSZGDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-16-12-10-15(11-13-16)21-19(20(25-26-21)14-6-2-1-3-7-14)22-23-17-8-4-5-9-18(17)24-22/h1-13,27H,(H,23,24)(H,25,26).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol has a molecular weight of 352.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 4069724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).