cyclohexyl imidazole-1-carboxylate

C10H14N2O2 — CID 10821640

IUPACcyclohexyl imidazole-1-carboxylate
SMILESO=C(OC1CCCCC1)n1ccnc1
InChIInChI=1S/C10H14N2O2/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyVGSOYPVNPXQBSH-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.20
Rot. Bonds1

About cyclohexyl imidazole-1-carboxylate

cyclohexyl imidazole-1-carboxylate (PubChem CID 10821640) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is cyclohexyl imidazole-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl imidazole-1-carboxylate
PubChem CID10821640
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namecyclohexyl imidazole-1-carboxylate
SMILESO=C(OC1CCCCC1)n1ccnc1
InChIInChI=1S/C10H14N2O2/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyVGSOYPVNPXQBSH-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl imidazole-1-carboxylate?
The IUPAC name of cyclohexyl imidazole-1-carboxylate (CID 10821640) is cyclohexyl imidazole-1-carboxylate.
What is the SMILES notation for cyclohexyl imidazole-1-carboxylate?
The canonical SMILES for cyclohexyl imidazole-1-carboxylate is O=C(OC1CCCCC1)n1ccnc1.
What is the InChIKey of cyclohexyl imidazole-1-carboxylate?
The InChIKey is VGSOYPVNPXQBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of cyclohexyl imidazole-1-carboxylate?
cyclohexyl imidazole-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl imidazole-1-carboxylate is sourced from PubChem (CID 10821640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).