2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane

C30H44N2 — CID 145383767

IUPAC2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
SMILESCC.CCC(C)(c1ccccc1-c1nccn1-c1c(C(C)C)cccc1C(C)C)C(C)C
InChIInChI=1S/C28H38N2.C2H6/c1-9-28(8,21(6)7)25-16-11-10-13-24(25)27-29-17-18-30(27)26-22(19(2)3)14-12-15-23(26)20(4)5;1-2/h10-21H,9H2,1-8H3;1-2H3
InChIKeyHMZOEWCFJQRZES-UHFFFAOYSA-N
MW432.70 g/mol
LogP9.14
Rot. Bonds7

About 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane

2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane (PubChem CID 145383767) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane.

Molecular Properties

Compound Name2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
PubChem CID145383767
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Name2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
SMILESCC.CCC(C)(c1ccccc1-c1nccn1-c1c(C(C)C)cccc1C(C)C)C(C)C
InChIInChI=1S/C28H38N2.C2H6/c1-9-28(8,21(6)7)25-16-11-10-13-24(25)27-29-17-18-30(27)26-22(19(2)3)14-12-15-23(26)20(4)5;1-2/h10-21H,9H2,1-8H3;1-2H3
InChIKeyHMZOEWCFJQRZES-UHFFFAOYSA-N
XLogP9.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane 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

2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
CID 123378670
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline
CID 144725489
1-[2,6-di(propan-2-yl)phenyl]-2-[5-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]pyrrol-1-id-2-yl]imidazole;platinum(2+)
CID 162466983
2-(2-tert-butylphenyl)-1-(2,6-dibutylphenyl)imidazole
CID 139394307
2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 144542422
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
CID 118944080
CID 162072603
CID 162072603
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
3-[3-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]phenyl]isoquinoline
CID 140593953
methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate
CID 72696305

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane?
The IUPAC name of 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane (CID 145383767) is 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane.
What is the SMILES notation for 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane?
The canonical SMILES for 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane is CC.CCC(C)(c1ccccc1-c1nccn1-c1c(C(C)C)cccc1C(C)C)C(C)C.
What is the InChIKey of 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane?
The InChIKey is HMZOEWCFJQRZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2.C2H6/c1-9-28(8,21(6)7)25-16-11-10-13-24(25)27-29-17-18-30(27)26-22(19(2)3)14-12-15-23(26)20(4)5;1-2/h10-21H,9H2,1-8H3;1-2H3.
What are the key properties of 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane?
2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane has a molecular weight of 432.70 g/mol, XLogP of 9.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane is sourced from PubChem (CID 145383767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).