methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate

C22H23N3O5 — CID 665038

IUPACmethyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate
SMILESCOC(=O)c1c(C(=O)NCc2ccccc2)ncn1CC(O)COc1ccccc1
InChIInChI=1S/C22H23N3O5/c1-29-22(28)20-19(21(27)23-12-16-8-4-2-5-9-16)24-15-25(20)13-17(26)14-30-18-10-6-3-7-11-18/h2-11,15,17,26H,12-14H2,1H3,(H,23,27)
InChIKeyMSBAVOSCDPTMNN-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.04
Rot. Bonds9

About methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate

methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate (PubChem CID 665038) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate
PubChem CID665038
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Namemethyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate
SMILESCOC(=O)c1c(C(=O)NCc2ccccc2)ncn1CC(O)COc1ccccc1
InChIInChI=1S/C22H23N3O5/c1-29-22(28)20-19(21(27)23-12-16-8-4-2-5-9-16)24-15-25(20)13-17(26)14-30-18-10-6-3-7-11-18/h2-11,15,17,26H,12-14H2,1H3,(H,23,27)
InChIKeyMSBAVOSCDPTMNN-UHFFFAOYSA-N
XLogP2.04
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)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 methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate (CID 665038) is methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate is COC(=O)c1c(C(=O)NCc2ccccc2)ncn1CC(O)COc1ccccc1.
What is the InChIKey of methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate?
The InChIKey is MSBAVOSCDPTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-29-22(28)20-19(21(27)23-12-16-8-4-2-5-9-16)24-15-25(20)13-17(26)14-30-18-10-6-3-7-11-18/h2-11,15,17,26H,12-14H2,1H3,(H,23,27).
What are the key properties of methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate?
methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(benzylcarbamoyl)-3-(2-hydroxy-3-phenoxypropyl)imidazole-4-carboxylate is sourced from PubChem (CID 665038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).