methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate

C33H30N2O4 — CID 139818776

IUPACmethyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C33H30N2O4/c1-23(24-15-7-3-8-16-24)34-30(32(37)39-2)29(31(36)27-21-13-6-14-22-27)35(33(34)38)28(25-17-9-4-10-18-25)26-19-11-5-12-20-26/h3-23,28-30H,1-2H3
InChIKeyWQGMNEHZWNMNGJ-UHFFFAOYSA-N
MW518.61 g/mol
LogP6.07
Rot. Bonds8

About methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate

methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate (PubChem CID 139818776) has the molecular formula C33H30N2O4 and a molecular weight of 518.61 g/mol. Its IUPAC name is methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
PubChem CID139818776
Molecular FormulaC33H30N2O4
Molecular Weight518.61 g/mol
Exact Mass518.22
IUPAC Namemethyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C33H30N2O4/c1-23(24-15-7-3-8-16-24)34-30(32(37)39-2)29(31(36)27-21-13-6-14-22-27)35(33(34)38)28(25-17-9-4-10-18-25)26-19-11-5-12-20-26/h3-23,28-30H,1-2H3
InChIKeyWQGMNEHZWNMNGJ-UHFFFAOYSA-N
XLogP6.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
The IUPAC name of methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate (CID 139818776) is methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate.
What is the SMILES notation for methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
The canonical SMILES for methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate is COC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(C)c1ccccc1.
What is the InChIKey of methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
The InChIKey is WQGMNEHZWNMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O4/c1-23(24-15-7-3-8-16-24)34-30(32(37)39-2)29(31(36)27-21-13-6-14-22-27)35(33(34)38)28(25-17-9-4-10-18-25)26-19-11-5-12-20-26/h3-23,28-30H,1-2H3.
What are the key properties of methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate?
methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate has a molecular weight of 518.61 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzhydryl-5-benzoyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate is sourced from PubChem (CID 139818776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).