2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole

C24H30N2O — CID 67804837

IUPAC2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole
SMILESCC1(C)CCC(OCCc2cccc3ccccc23)C(Cc2ncc[nH]2)C1
InChIInChI=1S/C24H30N2O/c1-24(2)12-10-22(20(17-24)16-23-25-13-14-26-23)27-15-11-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,13-14,20,22H,10-12,15-17H2,1-2H3,(H,25,26)
InChIKeyZTCBAJFGRLFFFB-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.56
Rot. Bonds6

About 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole

2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole (PubChem CID 67804837) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole
PubChem CID67804837
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole
SMILESCC1(C)CCC(OCCc2cccc3ccccc23)C(Cc2ncc[nH]2)C1
InChIInChI=1S/C24H30N2O/c1-24(2)12-10-22(20(17-24)16-23-25-13-14-26-23)27-15-11-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,13-14,20,22H,10-12,15-17H2,1-2H3,(H,25,26)
InChIKeyZTCBAJFGRLFFFB-UHFFFAOYSA-N
XLogP5.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole (CID 67804837) is 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole is CC1(C)CCC(OCCc2cccc3ccccc23)C(Cc2ncc[nH]2)C1.
What is the InChIKey of 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole?
The InChIKey is ZTCBAJFGRLFFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-24(2)12-10-22(20(17-24)16-23-25-13-14-26-23)27-15-11-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,13-14,20,22H,10-12,15-17H2,1-2H3,(H,25,26).
What are the key properties of 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole?
2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole has a molecular weight of 362.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,5-dimethyl-2-(2-naphthalen-1-ylethoxy)cyclohexyl]methyl]-1H-imidazole is sourced from PubChem (CID 67804837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).