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

C22H16N4O — CID 139232748

IUPAC2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
SMILESOc1ccccc1-c1nn(-c2ccccc2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H16N4O/c27-20-13-7-4-10-16(20)21-17(14-26(25-21)15-8-2-1-3-9-15)22-23-18-11-5-6-12-19(18)24-22/h1-14,27H,(H,23,24)
InChIKeyGAJPTAKBHXWVHL-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.79
Rot. Bonds3

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

2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol (PubChem CID 139232748) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
PubChem CID139232748
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
SMILESOc1ccccc1-c1nn(-c2ccccc2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H16N4O/c27-20-13-7-4-10-16(20)21-17(14-26(25-21)15-8-2-1-3-9-15)22-23-18-11-5-6-12-19(18)24-22/h1-14,27H,(H,23,24)
InChIKeyGAJPTAKBHXWVHL-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

RP107
CID 448912
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
4-(1h-Pyrazol-5-Yl)-2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566382
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 33
CID 135434953
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
4-[4-phenyl-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638482
1-[4-(2,2-Dimethylpropyl)-1h-imidazol-2-yl]-2-[4-(1h-pyrazol-1-yl)phenyl]propan-2-ol
CID 25026446
3-(3-Indolylmethyl)-6-(3-hydroxylphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406046
3-1H-Benzoimidazol-2-yl-6-(3-hydroxyphenyl)-1H-indazole
CID 135839328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol (CID 139232748) is 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol is Oc1ccccc1-c1nn(-c2ccccc2)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
The InChIKey is GAJPTAKBHXWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-20-13-7-4-10-16(20)21-17(14-26(25-21)15-8-2-1-3-9-15)22-23-18-11-5-6-12-19(18)24-22/h1-14,27H,(H,23,24).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol?
2-[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 2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol is sourced from PubChem (CID 139232748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).