ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate

C20H22N2O2 — CID 70999194

IUPACethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)[C@H]1N=C(C)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-24-20(23)18-19(17-12-8-5-9-13-17)22(15(2)21-18)14-16-10-6-4-7-11-16/h4-13,18-19H,3,14H2,1-2H3/t18-,19-/m0/s1
InChIKeyHAMGGFMVXJEPFL-OALUTQOASA-N
MW322.41 g/mol
LogP3.59
Rot. Bonds5

About ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate

ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate (PubChem CID 70999194) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
PubChem CID70999194
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nameethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)[C@H]1N=C(C)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-24-20(23)18-19(17-12-8-5-9-13-17)22(15(2)21-18)14-16-10-6-4-7-11-16/h4-13,18-19H,3,14H2,1-2H3/t18-,19-/m0/s1
InChIKeyHAMGGFMVXJEPFL-OALUTQOASA-N
XLogP3.59
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-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

Related Compounds

ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl 1-benzyl-2-oxo-5-phenylpyrrolidine-3-carboxylate
CID 15314819
ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 102275849
ethyl (2S,3R)-1-benzyl-4-oxo-2-phenylpyrrolidine-3-carboxylate
CID 101118480
ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidine-4-carboxylate
CID 11739857
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800
ethyl (2S,3R)-1-benzyl-3-(4-methoxyphenyl)aziridine-2-carboxylate
CID 101067614
(2S,3S)-1-benzyl-3-ethoxycarbonylaziridine-2-carboxylic acid
CID 139695326
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289

Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate (CID 70999194) is ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate is CCOC(=O)[C@H]1N=C(C)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The InChIKey is HAMGGFMVXJEPFL-OALUTQOASA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-24-20(23)18-19(17-12-8-5-9-13-17)22(15(2)21-18)14-16-10-6-4-7-11-16/h4-13,18-19H,3,14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 70999194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).