4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid

C16H26N2O2 — CID 81020914

IUPAC4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCCn1ccnc1C1CC(C(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C16H26N2O2/c1-5-18-9-8-17-14(18)13-10-11(16(2,3)4)6-7-12(13)15(19)20/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyITYYHIJDTPMTSX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.53
Rot. Bonds3

About 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid

4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 81020914) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID81020914
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCCn1ccnc1C1CC(C(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C16H26N2O2/c1-5-18-9-8-17-14(18)13-10-11(16(2,3)4)6-7-12(13)15(19)20/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyITYYHIJDTPMTSX-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine
CID 81014963
2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid
CID 81008890
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
4-tert-butyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020670
2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid
CID 81013735
2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole
CID 64908834
N-[[2-(1-ethylimidazol-2-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021832
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744805
[3-(1-ethylimidazol-2-yl)pyrrolidin-2-yl]methanol
CID 131165540
4-(1-ethylimidazol-2-yl)-3-methylpiperidine
CID 114502153
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
4-(2-methylbutan-2-yl)-2-(2-methylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 63073387

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid (CID 81020914) is 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid is CCn1ccnc1C1CC(C(C)(C)C)CCC1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ITYYHIJDTPMTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18-9-8-17-14(18)13-10-11(16(2,3)4)6-7-12(13)15(19)20/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid?
4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 278.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).