2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol

C32H28N4O — CID 168721290

IUPAC2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol
SMILESCC(C)(C)c1nc2c(-c3cccc(-n4ccc(-c5ccccc5O)n4)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C32H28N4O/c1-32(2,3)31-33-30-25(16-10-17-28(30)36(31)23-12-5-4-6-13-23)22-11-9-14-24(21-22)35-20-19-27(34-35)26-15-7-8-18-29(26)37/h4-21,37H,1-3H3
InChIKeyYHOYYWHHKBLHKL-UHFFFAOYSA-N
MW484.60 g/mol
LogP7.55
Rot. Bonds4

About 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol

2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol (PubChem CID 168721290) has the molecular formula C32H28N4O and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol
PubChem CID168721290
Molecular FormulaC32H28N4O
Molecular Weight484.60 g/mol
Exact Mass484.23
IUPAC Name2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol
SMILESCC(C)(C)c1nc2c(-c3cccc(-n4ccc(-c5ccccc5O)n4)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C32H28N4O/c1-32(2,3)31-33-30-25(16-10-17-28(30)36(31)23-12-5-4-6-13-23)22-11-9-14-24(21-22)35-20-19-27(34-35)26-15-7-8-18-29(26)37/h4-21,37H,1-3H3
InChIKeyYHOYYWHHKBLHKL-UHFFFAOYSA-N
XLogP7.55
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 140833081
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(9-phenylpyrido[3,4-b]indol-1-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783255
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol
CID 176622942
4-tert-butyl-2-[1-phenyl-4-[3-(6-phenylquinolin-8-yl)-5-propan-2-ylphenyl]benzimidazol-2-yl]phenol
CID 177110662
5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865377
2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164742379
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783113
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(6-phenylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]imidazol-2-yl]phenol
CID 168721298
2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)phenyl]benzimidazol-2-yl]-4-phenylphenol
CID 177111005
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol?
The IUPAC name of 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol (CID 168721290) is 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol?
The canonical SMILES for 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol is CC(C)(C)c1nc2c(-c3cccc(-n4ccc(-c5ccccc5O)n4)c3)cccc2n1-c1ccccc1.
What is the InChIKey of 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol?
The InChIKey is YHOYYWHHKBLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O/c1-32(2,3)31-33-30-25(16-10-17-28(30)36(31)23-12-5-4-6-13-23)22-11-9-14-24(21-22)35-20-19-27(34-35)26-15-7-8-18-29(26)37/h4-21,37H,1-3H3.
What are the key properties of 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol?
2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol has a molecular weight of 484.60 g/mol, XLogP of 7.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol is sourced from PubChem (CID 168721290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).