5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole

C25H24N2O — CID 54490047

IUPAC5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole
SMILESCc1ccc(Cn2cncc2Oc2ccc(-c3cccc(C)c3)c(C)c2)cc1
InChIInChI=1S/C25H24N2O/c1-18-7-9-21(10-8-18)16-27-17-26-15-25(27)28-23-11-12-24(20(3)14-23)22-6-4-5-19(2)13-22/h4-15,17H,16H2,1-3H3
InChIKeyXVBFHVAPHVYTNM-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.32
Rot. Bonds5

About 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole

5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole (PubChem CID 54490047) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole
PubChem CID54490047
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole
SMILESCc1ccc(Cn2cncc2Oc2ccc(-c3cccc(C)c3)c(C)c2)cc1
InChIInChI=1S/C25H24N2O/c1-18-7-9-21(10-8-18)16-27-17-26-15-25(27)28-23-11-12-24(20(3)14-23)22-6-4-5-19(2)13-22/h4-15,17H,16H2,1-3H3
InChIKeyXVBFHVAPHVYTNM-UHFFFAOYSA-N
XLogP6.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-isocyanophenoxy)-1-[(4-phenylphenyl)methyl]imidazole
CID 23591977
7-(3-methylphenyl)-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51364671
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
N-methyl-1-[3-methyl-4-(3-methylphenyl)phenyl]methanamine
CID 66480423
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
[2-methyl-4-(4-methylphenyl)phenyl]-[3-[(3-methylphenyl)methyl]imidazol-4-yl]methanol
CID 54432683
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
CID 70651586
1,4-bis(4-methylphenyl)benzene;1,4-dimethyl-2,5-diphenylbenzene;2,3-dimethyl-1,4-diphenylbenzene;1,2-dimethyl-4-phenoxybenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene
CID 157496457
1,3-dimethyl-5-[4-[7-[4-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]heptyl]phenyl]-2-(3-methylphenyl)benzene
CID 144502837
2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine
CID 114384620
3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716960
3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 11647215

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole?
The IUPAC name of 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole (CID 54490047) is 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole.
What is the SMILES notation for 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole?
The canonical SMILES for 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole is Cc1ccc(Cn2cncc2Oc2ccc(-c3cccc(C)c3)c(C)c2)cc1.
What is the InChIKey of 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole?
The InChIKey is XVBFHVAPHVYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18-7-9-21(10-8-18)16-27-17-26-15-25(27)28-23-11-12-24(20(3)14-23)22-6-4-5-19(2)13-22/h4-15,17H,16H2,1-3H3.
What are the key properties of 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole?
5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole has a molecular weight of 368.48 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole is sourced from PubChem (CID 54490047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).