1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole

C15H22N2 — CID 101475431

IUPAC1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole
SMILESCc1cc(C)c(C)c(CN2C=CN(C)C2)c1C
InChIInChI=1S/C15H22N2/c1-11-8-12(2)14(4)15(13(11)3)9-17-7-6-16(5)10-17/h6-8H,9-10H2,1-5H3
InChIKeyXUJQCNDBXQXZTH-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.10
Rot. Bonds2

About 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole

1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole (PubChem CID 101475431) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole
PubChem CID101475431
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole
SMILESCc1cc(C)c(C)c(CN2C=CN(C)C2)c1C
InChIInChI=1S/C15H22N2/c1-11-8-12(2)14(4)15(13(11)3)9-17-7-6-16(5)10-17/h6-8H,9-10H2,1-5H3
InChIKeyXUJQCNDBXQXZTH-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole (CID 101475431) is 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole is Cc1cc(C)c(C)c(CN2C=CN(C)C2)c1C.
What is the InChIKey of 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole?
The InChIKey is XUJQCNDBXQXZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-8-12(2)14(4)15(13(11)3)9-17-7-6-16(5)10-17/h6-8H,9-10H2,1-5H3.
What are the key properties of 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole?
1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole has a molecular weight of 230.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole is sourced from PubChem (CID 101475431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).