1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole

C18H24N2O — CID 167831508

IUPAC1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole
SMILESCc1cc(C)cc(CCn2cnc(C3CCOCC3)c2)c1
InChIInChI=1S/C18H24N2O/c1-14-9-15(2)11-16(10-14)3-6-20-12-18(19-13-20)17-4-7-21-8-5-17/h9-13,17H,3-8H2,1-2H3
InChIKeyPHXAXXUHZCBZHP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole

1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole (PubChem CID 167831508) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole
PubChem CID167831508
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole
SMILESCc1cc(C)cc(CCn2cnc(C3CCOCC3)c2)c1
InChIInChI=1S/C18H24N2O/c1-14-9-15(2)11-16(10-14)3-6-20-12-18(19-13-20)17-4-7-21-8-5-17/h9-13,17H,3-8H2,1-2H3
InChIKeyPHXAXXUHZCBZHP-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole (CID 167831508) is 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole is Cc1cc(C)cc(CCn2cnc(C3CCOCC3)c2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole?
The InChIKey is PHXAXXUHZCBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-9-15(2)11-16(10-14)3-6-20-12-18(19-13-20)17-4-7-21-8-5-17/h9-13,17H,3-8H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole?
1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole has a molecular weight of 284.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)ethyl]-4-(oxan-4-yl)imidazole is sourced from PubChem (CID 167831508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).