1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole

C18H32N2O — CID 21397980

IUPAC1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole
SMILESCCCOC(Cn1ccnc1)C1CCCCC1C(C)(C)C
InChIInChI=1S/C18H32N2O/c1-5-12-21-17(13-20-11-10-19-14-20)15-8-6-7-9-16(15)18(2,3)4/h10-11,14-17H,5-9,12-13H2,1-4H3
InChIKeyRRGGMBHYEIEUMM-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.53
Rot. Bonds6

About 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole

1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole (PubChem CID 21397980) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole
PubChem CID21397980
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole
SMILESCCCOC(Cn1ccnc1)C1CCCCC1C(C)(C)C
InChIInChI=1S/C18H32N2O/c1-5-12-21-17(13-20-11-10-19-14-20)15-8-6-7-9-16(15)18(2,3)4/h10-11,14-17H,5-9,12-13H2,1-4H3
InChIKeyRRGGMBHYEIEUMM-UHFFFAOYSA-N
XLogP4.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole?
The IUPAC name of 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole (CID 21397980) is 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole.
What is the SMILES notation for 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole?
The canonical SMILES for 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole is CCCOC(Cn1ccnc1)C1CCCCC1C(C)(C)C.
What is the InChIKey of 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole?
The InChIKey is RRGGMBHYEIEUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-12-21-17(13-20-11-10-19-14-20)15-8-6-7-9-16(15)18(2,3)4/h10-11,14-17H,5-9,12-13H2,1-4H3.
What are the key properties of 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole?
1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole has a molecular weight of 292.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylcyclohexyl)-2-propoxyethyl]imidazole is sourced from PubChem (CID 21397980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).