(4-propan-2-ylcyclohexyl) imidazole-1-carboxylate

C13H20N2O2 — CID 156560455

IUPAC(4-propan-2-ylcyclohexyl) imidazole-1-carboxylate
SMILESCC(C)C1CCC(OC(=O)n2ccnc2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(2)11-3-5-12(6-4-11)17-13(16)15-8-7-14-9-15/h7-12H,3-6H2,1-2H3
InChIKeyUSNWTDRNRHHOJY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds2

About (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate

(4-propan-2-ylcyclohexyl) imidazole-1-carboxylate (PubChem CID 156560455) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl) imidazole-1-carboxylate
PubChem CID156560455
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(4-propan-2-ylcyclohexyl) imidazole-1-carboxylate
SMILESCC(C)C1CCC(OC(=O)n2ccnc2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(2)11-3-5-12(6-4-11)17-13(16)15-8-7-14-9-15/h7-12H,3-6H2,1-2H3
InChIKeyUSNWTDRNRHHOJY-UHFFFAOYSA-N
XLogP3.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate?
The IUPAC name of (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate (CID 156560455) is (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate.
What is the SMILES notation for (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate?
The canonical SMILES for (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate is CC(C)C1CCC(OC(=O)n2ccnc2)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate?
The InChIKey is USNWTDRNRHHOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)11-3-5-12(6-4-11)17-13(16)15-8-7-14-9-15/h7-12H,3-6H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate?
(4-propan-2-ylcyclohexyl) imidazole-1-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl) imidazole-1-carboxylate is sourced from PubChem (CID 156560455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).