cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate

C15H22N2O2 — CID 86612812

IUPACcyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate
SMILESO=C(Cc1cn(C2CCCC2)cn1)OC1CCCC1
InChIInChI=1S/C15H22N2O2/c18-15(19-14-7-3-4-8-14)9-12-10-17(11-16-12)13-5-1-2-6-13/h10-11,13-14H,1-9H2
InChIKeyHKVOCAFRBBEKPD-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.03
Rot. Bonds4

About cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate

cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate (PubChem CID 86612812) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate.

Molecular Properties

Compound Namecyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate
PubChem CID86612812
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namecyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate
SMILESO=C(Cc1cn(C2CCCC2)cn1)OC1CCCC1
InChIInChI=1S/C15H22N2O2/c18-15(19-14-7-3-4-8-14)9-12-10-17(11-16-12)13-5-1-2-6-13/h10-11,13-14H,1-9H2
InChIKeyHKVOCAFRBBEKPD-UHFFFAOYSA-N
XLogP3.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate?
The IUPAC name of cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate (CID 86612812) is cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate.
What is the SMILES notation for cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate?
The canonical SMILES for cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate is O=C(Cc1cn(C2CCCC2)cn1)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate?
The InChIKey is HKVOCAFRBBEKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(19-14-7-3-4-8-14)9-12-10-17(11-16-12)13-5-1-2-6-13/h10-11,13-14H,1-9H2.
What are the key properties of cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate?
cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate has a molecular weight of 262.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(1-cyclopentylimidazol-4-yl)acetate is sourced from PubChem (CID 86612812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).