ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate

C16H24N2O2 — CID 3006264

IUPACethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC2)[nH]c1C1CCCC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)14-13(11-7-3-4-8-11)17-15(18-14)12-9-5-6-10-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyQHMKEWWKBVYMKK-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.90
Rot. Bonds4

About ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate

ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate (PubChem CID 3006264) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate
PubChem CID3006264
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC2)[nH]c1C1CCCC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)14-13(11-7-3-4-8-11)17-15(18-14)12-9-5-6-10-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyQHMKEWWKBVYMKK-UHFFFAOYSA-N
XLogP3.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate (CID 3006264) is ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(C2CCCC2)[nH]c1C1CCCC1.
What is the InChIKey of ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate?
The InChIKey is QHMKEWWKBVYMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-16(19)14-13(11-7-3-4-8-11)17-15(18-14)12-9-5-6-10-12/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate?
ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dicyclopentyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 3006264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).