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

C18H28N2O2 — CID 3006262

IUPACethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCCC2)[nH]c1C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-2-22-18(21)16-15(13-9-5-3-6-10-13)19-17(20-16)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeyOIVQYPVIMMWZHH-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.68
Rot. Bonds4

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

ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate (PubChem CID 3006262) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate
PubChem CID3006262
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCCC2)[nH]c1C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-2-22-18(21)16-15(13-9-5-3-6-10-13)19-17(20-16)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeyOIVQYPVIMMWZHH-UHFFFAOYSA-N
XLogP4.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate (CID 3006262) is ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(C2CCCCC2)[nH]c1C1CCCCC1.
What is the InChIKey of ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate?
The InChIKey is OIVQYPVIMMWZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-22-18(21)16-15(13-9-5-3-6-10-13)19-17(20-16)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3,(H,19,20).
What are the key properties of ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate?
ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dicyclohexyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 3006262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).