1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole

C21H26N2 — CID 5247402

IUPAC1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C21H26N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h7-12H,13H2,1-6H3
InChIKeyRSTLYZXJMXWXEI-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.29
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole (PubChem CID 5247402) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
PubChem CID5247402
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C21H26N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h7-12H,13H2,1-6H3
InChIKeyRSTLYZXJMXWXEI-UHFFFAOYSA-N
XLogP5.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-bis(2,4,6-trimethylphenyl)-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 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole (CID 5247402) is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole is Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The InChIKey is RSTLYZXJMXWXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h7-12H,13H2,1-6H3.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole has a molecular weight of 306.45 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole is sourced from PubChem (CID 5247402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).