4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid

C14H22N2O2 — CID 116884486

IUPAC4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(C2CCC(C(=O)O)CC2)[nH]1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)11-8-15-12(16-11)9-4-6-10(7-5-9)13(17)18/h8-10H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyVBDMETDMVJTLSO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.07
Rot. Bonds2

About 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid

4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 116884486) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID116884486
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(C2CCC(C(=O)O)CC2)[nH]1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)11-8-15-12(16-11)9-4-6-10(7-5-9)13(17)18/h8-10H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyVBDMETDMVJTLSO-UHFFFAOYSA-N
XLogP3.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid (CID 116884486) is 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid is CC(C)(C)c1cnc(C2CCC(C(=O)O)CC2)[nH]1.
What is the InChIKey of 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VBDMETDMVJTLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)11-8-15-12(16-11)9-4-6-10(7-5-9)13(17)18/h8-10H,4-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116884486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).