methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate

C33H29N5O4 — CID 10602940

IUPACmethyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1C([C@H](O)CN=[N+]=[N-])N(Cc2ccccc2)C(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H29N5O4/c1-42-31(40)30-29(28(39)20-35-36-34)37(21-22-12-4-2-5-13-22)32(41)38(30)33(23-14-6-3-7-15-23)26-18-10-8-16-24(26)25-17-9-11-19-27(25)33/h2-19,28-30,39H,20-21H2,1H3/t28-,29?,30+/m1/s1
InChIKeyOYJGYFZGOFHFFH-MILORHPOSA-N
MW559.63 g/mol
LogP5.48
Rot. Bonds8

About methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate

methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate (PubChem CID 10602940) has the molecular formula C33H29N5O4 and a molecular weight of 559.63 g/mol. Its IUPAC name is methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate
PubChem CID10602940
Molecular FormulaC33H29N5O4
Molecular Weight559.63 g/mol
Exact Mass559.22
IUPAC Namemethyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1C([C@H](O)CN=[N+]=[N-])N(Cc2ccccc2)C(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H29N5O4/c1-42-31(40)30-29(28(39)20-35-36-34)37(21-22-12-4-2-5-13-22)32(41)38(30)33(23-14-6-3-7-15-23)26-18-10-8-16-24(26)25-17-9-11-19-27(25)33/h2-19,28-30,39H,20-21H2,1H3/t28-,29?,30+/m1/s1
InChIKeyOYJGYFZGOFHFFH-MILORHPOSA-N
XLogP5.48
TPSA118.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.63
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-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 (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate (CID 10602940) is methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate is COC(=O)[C@@H]1C([C@H](O)CN=[N+]=[N-])N(Cc2ccccc2)C(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate?
The InChIKey is OYJGYFZGOFHFFH-MILORHPOSA-N. The full InChI is InChI=1S/C33H29N5O4/c1-42-31(40)30-29(28(39)20-35-36-34)37(21-22-12-4-2-5-13-22)32(41)38(30)33(23-14-6-3-7-15-23)26-18-10-8-16-24(26)25-17-9-11-19-27(25)33/h2-19,28-30,39H,20-21H2,1H3/t28-,29?,30+/m1/s1.
What are the key properties of methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate?
methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate has a molecular weight of 559.63 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-[(1R)-2-azido-1-hydroxyethyl]-1-benzyl-2-oxo-3-(9-phenylfluoren-9-yl)imidazolidine-4-carboxylate is sourced from PubChem (CID 10602940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).