4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole

C20H19N5O2 — CID 70744471

IUPAC4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole
SMILESCOc1ccc(OC)c(-c2nccn2-c2cc(-n3cnnc3)ccc2C)c1
InChIInChI=1S/C20H19N5O2/c1-14-4-5-15(24-12-22-23-13-24)10-18(14)25-9-8-21-20(25)17-11-16(26-2)6-7-19(17)27-3/h4-13H,1-3H3
InChIKeyLQLABCCPTVGGTR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.45
Rot. Bonds5

About 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole

4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole (PubChem CID 70744471) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole
PubChem CID70744471
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole
SMILESCOc1ccc(OC)c(-c2nccn2-c2cc(-n3cnnc3)ccc2C)c1
InChIInChI=1S/C20H19N5O2/c1-14-4-5-15(24-12-22-23-13-24)10-18(14)25-9-8-21-20(25)17-11-16(26-2)6-7-19(17)27-3/h4-13H,1-3H3
InChIKeyLQLABCCPTVGGTR-UHFFFAOYSA-N
XLogP3.45
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235
2-(2,6-dimethoxyphenyl)-1-(5-fluoro-2-methylphenyl)imidazole
CID 56745803
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole
CID 56875587
4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol
CID 138807117
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
2-[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]isoindole-1,3-dione
CID 168516879
2-(2,5-dimethoxyphenyl)-4-methylpyridin-3-amine
CID 114051131
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3897588
1-bromo-2-(3-methoxyphenyl)imidazole
CID 175313145
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole?
The IUPAC name of 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole (CID 70744471) is 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole.
What is the SMILES notation for 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole?
The canonical SMILES for 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole is COc1ccc(OC)c(-c2nccn2-c2cc(-n3cnnc3)ccc2C)c1.
What is the InChIKey of 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole?
The InChIKey is LQLABCCPTVGGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14-4-5-15(24-12-22-23-13-24)10-18(14)25-9-8-21-20(25)17-11-16(26-2)6-7-19(17)27-3/h4-13H,1-3H3.
What are the key properties of 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole?
4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole has a molecular weight of 361.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole is sourced from PubChem (CID 70744471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).