4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol

C22H16N4O — CID 155812966

IUPAC4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
SMILESOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O/c27-17-12-10-15(11-13-17)21-18(14-26(25-21)16-6-2-1-3-7-16)22-23-19-8-4-5-9-20(19)24-22/h1-14,27H,(H,23,24)
InChIKeyBLJDBSZPHKGRRQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.79
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol

4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol (PubChem CID 155812966) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
PubChem CID155812966
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
SMILESOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O/c27-17-12-10-15(11-13-17)21-18(14-26(25-21)16-6-2-1-3-7-16)22-23-19-8-4-5-9-20(19)24-22/h1-14,27H,(H,23,24)
InChIKeyBLJDBSZPHKGRRQ-UHFFFAOYSA-N
XLogP4.79
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol
CID 154572966
1,3,4-triphenylpyrazole
CID 555882
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
CID 139193786
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1,5-diphenylpyrazol-4-yl)-1H-benzimidazole
CID 15468395
2-(1H-benzimidazol-2-yl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 4709642
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol (CID 155812966) is 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol is Oc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
The InChIKey is BLJDBSZPHKGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-17-12-10-15(11-13-17)21-18(14-26(25-21)16-6-2-1-3-7-16)22-23-19-8-4-5-9-20(19)24-22/h1-14,27H,(H,23,24).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol has a molecular weight of 352.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol is sourced from PubChem (CID 155812966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).