1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole

C19H15Cl3N2O — CID 3007496

IUPAC1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
SMILESCC=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C19H15Cl3N2O/c1-2-18(24-8-7-23-12-24)16-9-14(20)5-6-19(16)25-11-13-3-4-15(21)10-17(13)22/h2-10,12H,11H2,1H3
InChIKeyOUAUHRVDAQQUOO-UHFFFAOYSA-N
MW393.70 g/mol
LogP6.33
Rot. Bonds5

About 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole

1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole (PubChem CID 3007496) has the molecular formula C19H15Cl3N2O and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole.

Molecular Properties

Compound Name1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
PubChem CID3007496
Molecular FormulaC19H15Cl3N2O
Molecular Weight393.70 g/mol
Exact Mass392.02
IUPAC Name1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
SMILESCC=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C19H15Cl3N2O/c1-2-18(24-8-7-23-12-24)16-9-14(20)5-6-19(16)25-11-13-3-4-15(21)10-17(13)22/h2-10,12H,11H2,1H3
InChIKeyOUAUHRVDAQQUOO-UHFFFAOYSA-N
XLogP6.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479456
1-[(Z)-1-(5-chloro-2-propoxyphenyl)prop-1-enyl]imidazole
CID 6479461
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-imidazol-1-yl-N-methoxymethanimine
CID 22904486
1-[1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007491
1-[(Z)-1-[2-[(3-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479458
1-[1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-methylprop-1-enyl]imidazole
CID 3007501
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
bis[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-3-imidazol-1-ylprop-1-enyl] oxalate
CID 57052475
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629
1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
CID 14062132
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
CID 21481677

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole?
The IUPAC name of 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole (CID 3007496) is 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole.
What is the SMILES notation for 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole?
The canonical SMILES for 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole is CC=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1.
What is the InChIKey of 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole?
The InChIKey is OUAUHRVDAQQUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O/c1-2-18(24-8-7-23-12-24)16-9-14(20)5-6-19(16)25-11-13-3-4-15(21)10-17(13)22/h2-10,12H,11H2,1H3.
What are the key properties of 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole?
1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole has a molecular weight of 393.70 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole is sourced from PubChem (CID 3007496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).