cyclohexyl imidazole-1-carboxylate;hydrochloride

C10H15ClN2O2 — CID 122182291

IUPACcyclohexyl imidazole-1-carboxylate;hydrochloride
SMILESCl.O=C(OC1CCCCC1)n1ccnc1
InChIInChI=1S/C10H14N2O2.ClH/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9;/h6-9H,1-5H2;1H
InChIKeyPROSOISOIDLWGV-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.62
Rot. Bonds1

About cyclohexyl imidazole-1-carboxylate;hydrochloride

cyclohexyl imidazole-1-carboxylate;hydrochloride (PubChem CID 122182291) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is cyclohexyl imidazole-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecyclohexyl imidazole-1-carboxylate;hydrochloride
PubChem CID122182291
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Namecyclohexyl imidazole-1-carboxylate;hydrochloride
SMILESCl.O=C(OC1CCCCC1)n1ccnc1
InChIInChI=1S/C10H14N2O2.ClH/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9;/h6-9H,1-5H2;1H
InChIKeyPROSOISOIDLWGV-UHFFFAOYSA-N
XLogP2.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.62
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;hydrochloride?
The IUPAC name of cyclohexyl imidazole-1-carboxylate;hydrochloride (CID 122182291) is cyclohexyl imidazole-1-carboxylate;hydrochloride.
What is the SMILES notation for cyclohexyl imidazole-1-carboxylate;hydrochloride?
The canonical SMILES for cyclohexyl imidazole-1-carboxylate;hydrochloride is Cl.O=C(OC1CCCCC1)n1ccnc1.
What is the InChIKey of cyclohexyl imidazole-1-carboxylate;hydrochloride?
The InChIKey is PROSOISOIDLWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9;/h6-9H,1-5H2;1H.
What are the key properties of cyclohexyl imidazole-1-carboxylate;hydrochloride?
cyclohexyl imidazole-1-carboxylate;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 2.62, 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;hydrochloride is sourced from PubChem (CID 122182291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).