methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate

C38H32N2O4 — CID 139818790

IUPACmethyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H32N2O4/c1-44-37(42)35-34(36(41)31-25-15-6-16-26-31)39(32(27-17-7-2-8-18-27)28-19-9-3-10-20-28)38(43)40(35)33(29-21-11-4-12-22-29)30-23-13-5-14-24-30/h2-26,32-35H,1H3
InChIKeyRGFJDGPYOCRXEP-UHFFFAOYSA-N
MW580.68 g/mol
LogP7.10
Rot. Bonds9

About methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate

methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 139818790) has the molecular formula C38H32N2O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate
PubChem CID139818790
Molecular FormulaC38H32N2O4
Molecular Weight580.68 g/mol
Exact Mass580.24
IUPAC Namemethyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H32N2O4/c1-44-37(42)35-34(36(41)31-25-15-6-16-26-31)39(32(27-17-7-2-8-18-27)28-19-9-3-10-20-28)38(43)40(35)33(29-21-11-4-12-22-29)30-23-13-5-14-24-30/h2-26,32-35H,1H3
InChIKeyRGFJDGPYOCRXEP-UHFFFAOYSA-N
XLogP7.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate (CID 139818790) is methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate is COC(=O)C1C(C(=O)c2ccccc2)N(C(c2ccccc2)c2ccccc2)C(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is RGFJDGPYOCRXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O4/c1-44-37(42)35-34(36(41)31-25-15-6-16-26-31)39(32(27-17-7-2-8-18-27)28-19-9-3-10-20-28)38(43)40(35)33(29-21-11-4-12-22-29)30-23-13-5-14-24-30/h2-26,32-35H,1H3.
What are the key properties of methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate?
methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 580.68 g/mol, XLogP of 7.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dibenzhydryl-5-benzoyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 139818790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).