ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate

C14H22N2O2 — CID 71202512

IUPACethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(C2CCC(C)CC2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-18-14(17)8-12-9-16(10-15-12)13-6-4-11(2)5-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeyAHRWNBKSJGAHSW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.74
Rot. Bonds4

About ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate

ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate (PubChem CID 71202512) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate
PubChem CID71202512
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(C2CCC(C)CC2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-18-14(17)8-12-9-16(10-15-12)13-6-4-11(2)5-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeyAHRWNBKSJGAHSW-UHFFFAOYSA-N
XLogP2.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate (CID 71202512) is ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate is CCOC(=O)Cc1cn(C2CCC(C)CC2)cn1.
What is the InChIKey of ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate?
The InChIKey is AHRWNBKSJGAHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-14(17)8-12-9-16(10-15-12)13-6-4-11(2)5-7-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate?
ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate has a molecular weight of 250.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-methylcyclohexyl)imidazol-4-yl]acetate is sourced from PubChem (CID 71202512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).