1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole

C21H30N2 — CID 123754159

IUPAC1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)CC3C)C2)C(C)C1
InChIInChI=1S/C21H30N2/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/h7-9,11,17,19H,10,12-13H2,1-6H3
InChIKeyUWUYWKVLQISZKV-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.55
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole

1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole (PubChem CID 123754159) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
PubChem CID123754159
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)CC3C)C2)C(C)C1
InChIInChI=1S/C21H30N2/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/h7-9,11,17,19H,10,12-13H2,1-6H3
InChIKeyUWUYWKVLQISZKV-UHFFFAOYSA-N
XLogP5.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-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

Related Compounds

1-[(6S)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2,2-difluoroimidazole
CID 156686575
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]imidazolidine
CID 89476074
1,3-bis[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476075
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476076
1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 90077035
1-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-3-(6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-2H-imidazole
CID 117710268
1-(2,4-Dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123305352
1-(2,6-Dimethylcyclohexa-1,3-dien-1-yl)-3-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123321080
1-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]imidazolidine
CID 123523569
1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
CID 123752645
1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 123776308
1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
CID 123899937

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The IUPAC name of 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole (CID 123754159) is 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The canonical SMILES for 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole is CC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)CC3C)C2)C(C)C1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The InChIKey is UWUYWKVLQISZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/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/h7-9,11,17,19H,10,12-13H2,1-6H3.
What are the key properties of 1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole has a molecular weight of 310.49 g/mol, XLogP of 5.55, 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-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole is sourced from PubChem (CID 123754159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).