5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline

C24H18Cl2N2O — CID 14676800

IUPAC5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESClc1ccc(COc2ccc(C3=Cc4ccccc4C4=NCCN34)cc2)c(Cl)c1
InChIInChI=1S/C24H18Cl2N2O/c25-19-8-5-18(22(26)14-19)15-29-20-9-6-16(7-10-20)23-13-17-3-1-2-4-21(17)24-27-11-12-28(23)24/h1-10,13-14H,11-12,15H2
InChIKeyWWBSEQJBINIJCZ-UHFFFAOYSA-N
MW421.33 g/mol
LogP6.15
Rot. Bonds4

About 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline

5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 14676800) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID14676800
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESClc1ccc(COc2ccc(C3=Cc4ccccc4C4=NCCN34)cc2)c(Cl)c1
InChIInChI=1S/C24H18Cl2N2O/c25-19-8-5-18(22(26)14-19)15-29-20-9-6-16(7-10-20)23-13-17-3-1-2-4-21(17)24-27-11-12-28(23)24/h1-10,13-14H,11-12,15H2
InChIKeyWWBSEQJBINIJCZ-UHFFFAOYSA-N
XLogP6.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
CID 23167688
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685450
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
(3Z)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126119921
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 872664
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334376

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 14676800) is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline is Clc1ccc(COc2ccc(C3=Cc4ccccc4C4=NCCN34)cc2)c(Cl)c1.
What is the InChIKey of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is WWBSEQJBINIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c25-19-8-5-18(22(26)14-19)15-29-20-9-6-16(7-10-20)23-13-17-3-1-2-4-21(17)24-27-11-12-28(23)24/h1-10,13-14H,11-12,15H2.
What are the key properties of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 421.33 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 14676800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).