[3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

C22H28N2O4 — CID 118246228

IUPAC[3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)OCCC(=O)OCC1CCCCC1
InChIInChI=1S/C22H28N2O4/c1-17(19-10-6-3-7-11-19)24-16-23-14-20(24)22(26)27-13-12-21(25)28-15-18-8-4-2-5-9-18/h3,6-7,10-11,14,16-18H,2,4-5,8-9,12-13,15H2,1H3/t17-/m1/s1
InChIKeyZKCRZJZLQYBNAK-QGZVFWFLSA-N
MW384.48 g/mol
LogP4.16
Rot. Bonds8

About [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

[3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (PubChem CID 118246228) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name[3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
PubChem CID118246228
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)OCCC(=O)OCC1CCCCC1
InChIInChI=1S/C22H28N2O4/c1-17(19-10-6-3-7-11-19)24-16-23-14-20(24)22(26)27-13-12-21(25)28-15-18-8-4-2-5-9-18/h3,6-7,10-11,14,16-18H,2,4-5,8-9,12-13,15H2,1H3/t17-/m1/s1
InChIKeyZKCRZJZLQYBNAK-QGZVFWFLSA-N
XLogP4.16
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]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 [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (CID 118246228) is [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is C[C@H](c1ccccc1)n1cncc1C(=O)OCCC(=O)OCC1CCCCC1.
What is the InChIKey of [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The InChIKey is ZKCRZJZLQYBNAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17(19-10-6-3-7-11-19)24-16-23-14-20(24)22(26)27-13-12-21(25)28-15-18-8-4-2-5-9-18/h3,6-7,10-11,14,16-18H,2,4-5,8-9,12-13,15H2,1H3/t17-/m1/s1.
What are the key properties of [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
[3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 118246228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).