methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate

C37H32N2O4 — CID 139818749

IUPACmethyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C37H32N2O4/c1-25(30-24-14-22-26-15-12-13-23-31(26)30)38-34(36(41)43-2)33(35(40)29-20-10-5-11-21-29)39(37(38)42)32(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-25,32-34H,1-2H3
InChIKeyQAPMAEIQELXVHS-UHFFFAOYSA-N
MW568.67 g/mol
LogP7.22
Rot. Bonds8

About methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate

methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate (PubChem CID 139818749) has the molecular formula C37H32N2O4 and a molecular weight of 568.67 g/mol. Its IUPAC name is methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate
PubChem CID139818749
Molecular FormulaC37H32N2O4
Molecular Weight568.67 g/mol
Exact Mass568.24
IUPAC Namemethyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C37H32N2O4/c1-25(30-24-14-22-26-15-12-13-23-31(26)30)38-34(36(41)43-2)33(35(40)29-20-10-5-11-21-29)39(37(38)42)32(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-25,32-34H,1-2H3
InChIKeyQAPMAEIQELXVHS-UHFFFAOYSA-N
XLogP7.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 57.22
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-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate (CID 139818749) is methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate is COC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(C)c1cccc2ccccc12.
What is the InChIKey of methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate?
The InChIKey is QAPMAEIQELXVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2O4/c1-25(30-24-14-22-26-15-12-13-23-31(26)30)38-34(36(41)43-2)33(35(40)29-20-10-5-11-21-29)39(37(38)42)32(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-25,32-34H,1-2H3.
What are the key properties of methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate?
methyl 1-benzhydryl-5-benzoyl-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate has a molecular weight of 568.67 g/mol, XLogP of 7.22, 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-3-(1-naphthalen-1-ylethyl)-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 139818749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).