1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole

C18H18Cl2N2O — CID 141305735

IUPAC1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole
SMILESCOc1cccc(CC(c2cccc(Cl)c2Cl)N2C=NCC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-23-14-5-2-4-13(10-14)11-17(22-9-8-21-12-22)15-6-3-7-16(19)18(15)20/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyYZBDDTOIWSMCTA-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.63
Rot. Bonds5

About 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole

1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole (PubChem CID 141305735) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole
PubChem CID141305735
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole
SMILESCOc1cccc(CC(c2cccc(Cl)c2Cl)N2C=NCC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-23-14-5-2-4-13(10-14)11-17(22-9-8-21-12-22)15-6-3-7-16(19)18(15)20/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyYZBDDTOIWSMCTA-UHFFFAOYSA-N
XLogP4.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 87885199
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
[1-(2-chlorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205130
2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975783
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole (CID 141305735) is 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole is COc1cccc(CC(c2cccc(Cl)c2Cl)N2C=NCC2)c1.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole?
The InChIKey is YZBDDTOIWSMCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-23-14-5-2-4-13(10-14)11-17(22-9-8-21-12-22)15-6-3-7-16(19)18(15)20/h2-7,10,12,17H,8-9,11H2,1H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole?
1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole has a molecular weight of 349.26 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole is sourced from PubChem (CID 141305735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).