1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole

C21H32N2 — CID 164783131

IUPAC1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole
SMILESCC1(C)CC(N2C=CN(c3ccccc3)C2)CC(C)(C)C1(C)C
InChIInChI=1S/C21H32N2/c1-19(2)14-18(15-20(3,4)21(19,5)6)23-13-12-22(16-23)17-10-8-7-9-11-17/h7-13,18H,14-16H2,1-6H3
InChIKeyWIODFPAHSWRWBV-UHFFFAOYSA-N
MW312.50 g/mol
LogP5.48
Rot. Bonds2

About 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole

1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole (PubChem CID 164783131) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole
PubChem CID164783131
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole
SMILESCC1(C)CC(N2C=CN(c3ccccc3)C2)CC(C)(C)C1(C)C
InChIInChI=1S/C21H32N2/c1-19(2)14-18(15-20(3,4)21(19,5)6)23-13-12-22(16-23)17-10-8-7-9-11-17/h7-13,18H,14-16H2,1-6H3
InChIKeyWIODFPAHSWRWBV-UHFFFAOYSA-N
XLogP5.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole
CID 146451039
1-(4-fluorophenyl)-3-phenyl-2H-imidazole
CID 59404000
1-(4-iodophenyl)-3-phenyl-2H-imidazole
CID 69494729
2-(3-phenyl-2H-imidazol-1-yl)ethanol
CID 154061756
5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile
CID 172860301
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499601
4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole
CID 130368704
1-octyl-3-phenyl-2H-imidazole
CID 69387944
1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole
CID 164783115
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole
CID 102428544

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole?
The IUPAC name of 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole (CID 164783131) is 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole.
What is the SMILES notation for 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole?
The canonical SMILES for 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole is CC1(C)CC(N2C=CN(c3ccccc3)C2)CC(C)(C)C1(C)C.
What is the InChIKey of 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole?
The InChIKey is WIODFPAHSWRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-19(2)14-18(15-20(3,4)21(19,5)6)23-13-12-22(16-23)17-10-8-7-9-11-17/h7-13,18H,14-16H2,1-6H3.
What are the key properties of 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole?
1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole has a molecular weight of 312.50 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4,5,5-hexamethylcyclohexyl)-3-phenyl-2H-imidazole is sourced from PubChem (CID 164783131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).