methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate

C25H26N2O4 — CID 132542458

IUPACmethyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN(c2ccc(OC)cc2)CN1c1ccc(OC)cc1
InChIInChI=1S/C25H26N2O4/c1-29-22-13-9-20(10-14-22)26-17-25(24(28)31-3,19-7-5-4-6-8-19)27(18-26)21-11-15-23(30-2)16-12-21/h4-16H,17-18H2,1-3H3
InChIKeyMPVLUEVODIFJEX-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.06
Rot. Bonds6

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

methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate (PubChem CID 132542458) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate
PubChem CID132542458
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Namemethyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN(c2ccc(OC)cc2)CN1c1ccc(OC)cc1
InChIInChI=1S/C25H26N2O4/c1-29-22-13-9-20(10-14-22)26-17-25(24(28)31-3,19-7-5-4-6-8-19)27(18-26)21-11-15-23(30-2)16-12-21/h4-16H,17-18H2,1-3H3
InChIKeyMPVLUEVODIFJEX-UHFFFAOYSA-N
XLogP4.06
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.06
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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Related Compounds

methyl 4-(3-chlorophenyl)-1,3-bis(4-methoxyphenyl)imidazolidine-4-carboxylate
CID 132542456
methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate
CID 11270306
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
methyl (3R,5R)-5-cyano-1-(4-methoxyphenyl)-5-phenylpyrrolidine-3-carboxylate
CID 139093421
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7405503
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate?
The IUPAC name of methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate (CID 132542458) is methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate.
What is the SMILES notation for methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate?
The canonical SMILES for methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate is COC(=O)C1(c2ccccc2)CN(c2ccc(OC)cc2)CN1c1ccc(OC)cc1.
What is the InChIKey of methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate?
The InChIKey is MPVLUEVODIFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-29-22-13-9-20(10-14-22)26-17-25(24(28)31-3,19-7-5-4-6-8-19)27(18-26)21-11-15-23(30-2)16-12-21/h4-16H,17-18H2,1-3H3.
What are the key properties of methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate?
methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate is sourced from PubChem (CID 132542458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).