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

C17H16N2O2 — CID 10707871

IUPACbenzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=N[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H16N2O2/c20-17(21-12-14-7-3-1-4-8-14)19-11-16(18-13-19)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2/t16-/m1/s1
InChIKeyVXXGGBBZQLNKHY-MRXNPFEDSA-N
MW280.33 g/mol
LogP3.41
Rot. Bonds3

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

benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate (PubChem CID 10707871) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate
PubChem CID10707871
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namebenzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=N[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H16N2O2/c20-17(21-12-14-7-3-1-4-8-14)19-11-16(18-13-19)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2/t16-/m1/s1
InChIKeyVXXGGBBZQLNKHY-MRXNPFEDSA-N
XLogP3.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

benzyl 2H-azete-1-carboxylate
CID 140983848
(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 102278836
benzyl (3S)-3-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11031771
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate
CID 46862007
(2S,3S,4R)-4-hydroxy-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294713
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate (CID 10707871) is benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate is O=C(OCc1ccccc1)N1C=N[C@@H](c2ccccc2)C1.
What is the InChIKey of benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is VXXGGBBZQLNKHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17(21-12-14-7-3-1-4-8-14)19-11-16(18-13-19)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2/t16-/m1/s1.
What are the key properties of benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate?
benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 10707871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).