5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde

C27H29ClN2O3 — CID 134370531

IUPAC5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde
SMILESCOc1ccc(C2NC(c3ccc(C)cc3)C(c3cccc(Cl)c3)N2C=O)c(OC(C)C)c1
InChIInChI=1S/C27H29ClN2O3/c1-17(2)33-24-15-22(32-4)12-13-23(24)27-29-25(19-10-8-18(3)9-11-19)26(30(27)16-31)20-6-5-7-21(28)14-20/h5-17,25-27,29H,1-4H3
InChIKeyVICOZZUDBQMAIS-UHFFFAOYSA-N
MW464.99 g/mol
LogP5.99
Rot. Bonds7

About 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde

5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde (PubChem CID 134370531) has the molecular formula C27H29ClN2O3 and a molecular weight of 464.99 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde
PubChem CID134370531
Molecular FormulaC27H29ClN2O3
Molecular Weight464.99 g/mol
Exact Mass464.19
IUPAC Name5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde
SMILESCOc1ccc(C2NC(c3ccc(C)cc3)C(c3cccc(Cl)c3)N2C=O)c(OC(C)C)c1
InChIInChI=1S/C27H29ClN2O3/c1-17(2)33-24-15-22(32-4)12-13-23(24)27-29-25(19-10-8-18(3)9-11-19)26(30(27)16-31)20-6-5-7-21(28)14-20/h5-17,25-27,29H,1-4H3
InChIKeyVICOZZUDBQMAIS-UHFFFAOYSA-N
XLogP5.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.99
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-{[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-YL]carbonyl}piperazine
CID 49867154
4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide
CID 56673707
4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
CID 71304809
Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone
CID 46936901
(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine
CID 448785
4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
CID 114286447
4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
CID 114286450
4-[(4S,5R)-4-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one chloride
CID 165180670
4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]-3-methylidenepiperazin-2-one
CID 166451120
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60214035
N-[(4-chlorophenyl)methyl]-2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17523760
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-ethoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
CID 10129082

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
The IUPAC name of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde (CID 134370531) is 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
The canonical SMILES for 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde is COc1ccc(C2NC(c3ccc(C)cc3)C(c3cccc(Cl)c3)N2C=O)c(OC(C)C)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
The InChIKey is VICOZZUDBQMAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3/c1-17(2)33-24-15-22(32-4)12-13-23(24)27-29-25(19-10-8-18(3)9-11-19)26(30(27)16-31)20-6-5-7-21(28)14-20/h5-17,25-27,29H,1-4H3.
What are the key properties of 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde?
5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde has a molecular weight of 464.99 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-(4-methylphenyl)imidazolidine-1-carbaldehyde is sourced from PubChem (CID 134370531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).