2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol

C36H37N5O — CID 162491784

IUPAC2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol
SMILESCc1nc(-c2cccc(N3C=CN(c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)C3)c2)nn1-c1ccccc1O
InChIInChI=1S/C36H37N5O/c1-24(2)31-21-29(27-12-7-6-8-13-27)22-32(25(3)4)35(31)40-19-18-39(23-40)30-15-11-14-28(20-30)36-37-26(5)41(38-36)33-16-9-10-17-34(33)42/h6-22,24-25,42H,23H2,1-5H3
InChIKeyUJLLWTHTZYVQMW-UHFFFAOYSA-N
MW555.73 g/mol
LogP8.62
Rot. Bonds7

About 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol

2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol (PubChem CID 162491784) has the molecular formula C36H37N5O and a molecular weight of 555.73 g/mol. Its IUPAC name is 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol
PubChem CID162491784
Molecular FormulaC36H37N5O
Molecular Weight555.73 g/mol
Exact Mass555.30
IUPAC Name2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol
SMILESCc1nc(-c2cccc(N3C=CN(c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)C3)c2)nn1-c1ccccc1O
InChIInChI=1S/C36H37N5O/c1-24(2)31-21-29(27-12-7-6-8-13-27)22-32(25(3)4)35(31)40-19-18-39(23-40)30-15-11-14-28(20-30)36-37-26(5)41(38-36)33-16-9-10-17-34(33)42/h6-22,24-25,42H,23H2,1-5H3
InChIKeyUJLLWTHTZYVQMW-UHFFFAOYSA-N
XLogP8.62
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.73
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methyl-3-[3-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491945
2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491838
1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
CID 164783146
2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491859
2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491770
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
CID 140601898
2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 171438742
2-methyl-4-phenyl-5-propan-2-ylphenol
CID 174789166
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole
CID 140814522
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol?
The IUPAC name of 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol (CID 162491784) is 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol.
What is the SMILES notation for 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol?
The canonical SMILES for 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol is Cc1nc(-c2cccc(N3C=CN(c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)C3)c2)nn1-c1ccccc1O.
What is the InChIKey of 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol?
The InChIKey is UJLLWTHTZYVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O/c1-24(2)31-21-29(27-12-7-6-8-13-27)22-32(25(3)4)35(31)40-19-18-39(23-40)30-15-11-14-28(20-30)36-37-26(5)41(38-36)33-16-9-10-17-34(33)42/h6-22,24-25,42H,23H2,1-5H3.
What are the key properties of 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol?
2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol has a molecular weight of 555.73 g/mol, XLogP of 8.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol is sourced from PubChem (CID 162491784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).