methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate

C25H25ClN2O4 — CID 132542456

IUPACmethyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate
SMILESCOC(=O)C1(c2cccc(Cl)c2)CN(c2ccc(OC)cc2)CN1c1ccc(OC)cc1
InChIInChI=1S/C25H25ClN2O4/c1-30-22-11-7-20(8-12-22)27-16-25(24(29)32-3,18-5-4-6-19(26)15-18)28(17-27)21-9-13-23(31-2)14-10-21/h4-15H,16-17H2,1-3H3
InChIKeyQDPOYCHRFXGSNO-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.71
Rot. Bonds6

About methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate

methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate (PubChem CID 132542456) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate
PubChem CID132542456
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC Namemethyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate
SMILESCOC(=O)C1(c2cccc(Cl)c2)CN(c2ccc(OC)cc2)CN1c1ccc(OC)cc1
InChIInChI=1S/C25H25ClN2O4/c1-30-22-11-7-20(8-12-22)27-16-25(24(29)32-3,18-5-4-6-19(26)15-18)28(17-27)21-9-13-23(31-2)14-10-21/h4-15H,16-17H2,1-3H3
InChIKeyQDPOYCHRFXGSNO-UHFFFAOYSA-N
XLogP4.71
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate?
The IUPAC name of methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate (CID 132542456) is methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate?
The canonical SMILES for methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate is COC(=O)C1(c2cccc(Cl)c2)CN(c2ccc(OC)cc2)CN1c1ccc(OC)cc1.
What is the InChIKey of methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate?
The InChIKey is QDPOYCHRFXGSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-30-22-11-7-20(8-12-22)27-16-25(24(29)32-3,18-5-4-6-19(26)15-18)28(17-27)21-9-13-23(31-2)14-10-21/h4-15H,16-17H2,1-3H3.
What are the key properties of methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate?
methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate has a molecular weight of 452.94 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate is sourced from PubChem (CID 132542456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).