2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol

C28H23N5O — CID 162491838

IUPAC2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol
SMILESCc1nc(-c2cccc(N3CN(c4ccccc4)c4ccccc43)c2)nn1-c1ccccc1O
InChIInChI=1S/C28H23N5O/c1-20-29-28(30-33(20)26-16-7-8-17-27(26)34)21-10-9-13-23(18-21)32-19-31(22-11-3-2-4-12-22)24-14-5-6-15-25(24)32/h2-18,34H,19H2,1H3
InChIKeySKDAAYMGJCWZLQ-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.20
Rot. Bonds4

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

2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol (PubChem CID 162491838) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol
PubChem CID162491838
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol
SMILESCc1nc(-c2cccc(N3CN(c4ccccc4)c4ccccc43)c2)nn1-c1ccccc1O
InChIInChI=1S/C28H23N5O/c1-20-29-28(30-33(20)26-16-7-8-17-27(26)34)21-10-9-13-23(18-21)32-19-31(22-11-3-2-4-12-22)24-14-5-6-15-25(24)32/h2-18,34H,19H2,1H3
InChIKeySKDAAYMGJCWZLQ-UHFFFAOYSA-N
XLogP6.20
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol with MolForge

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Related Compounds

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
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
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
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole
CID 138726301
5-methyl-1-(2,3,4,5,6-pentafluorophenyl)-3-phenyl-1,2,4-triazole
CID 24764267
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane
CID 145325422
1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole
CID 140825520

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol?
The IUPAC name of 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol (CID 162491838) is 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol.
What is the SMILES notation for 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol?
The canonical SMILES for 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol is Cc1nc(-c2cccc(N3CN(c4ccccc4)c4ccccc43)c2)nn1-c1ccccc1O.
What is the InChIKey of 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol?
The InChIKey is SKDAAYMGJCWZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-20-29-28(30-33(20)26-16-7-8-17-27(26)34)21-10-9-13-23(18-21)32-19-31(22-11-3-2-4-12-22)24-14-5-6-15-25(24)32/h2-18,34H,19H2,1H3.
What are the key properties of 2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol?
2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol has a molecular weight of 445.53 g/mol, XLogP of 6.20, 4 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-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol is sourced from PubChem (CID 162491838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).