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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Related Compounds

methyl 1,3-bis(4-methoxyphenyl)-4-phenylimidazolidine-4-carboxylate
CID 132542458
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CID 110439114
methyl (1R,3aS,6aR)-3,3-bis(3-chlorophenyl)-5-(4-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylate
CID 1282756
2-[(3-chlorobenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782249
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
methyl 3-(3-chlorophenyl)-2,3-dimethyloxirane-2-carboxylate
CID 66437174
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
(3S,4R)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 68804778
3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 58007393
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
methyl 1-(4-chlorophenyl)-3-hydroxypyrrolidine-3-carboxylate
CID 122579158
[3-(2-chlorophenyl)-1-(3-chlorophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42662575

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).