1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol

C17H20Cl2N2O — CID 54083006

IUPAC1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol
SMILESCCC(C=C(C(O)c1ccc(Cl)cc1Cl)n1ccnc1)CC
InChIInChI=1S/C17H20Cl2N2O/c1-3-12(4-2)9-16(21-8-7-20-11-21)17(22)14-6-5-13(18)10-15(14)19/h5-12,17,22H,3-4H2,1-2H3
InChIKeyMOLHMNMYGSFPKE-UHFFFAOYSA-N
MW339.27 g/mol
LogP5.20
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol

1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol (PubChem CID 54083006) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol
PubChem CID54083006
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol
SMILESCCC(C=C(C(O)c1ccc(Cl)cc1Cl)n1ccnc1)CC
InChIInChI=1S/C17H20Cl2N2O/c1-3-12(4-2)9-16(21-8-7-20-11-21)17(22)14-6-5-13(18)10-15(14)19/h5-12,17,22H,3-4H2,1-2H3
InChIKeyMOLHMNMYGSFPKE-UHFFFAOYSA-N
XLogP5.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.27
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[1-[2-butoxy-2-(2,4-dichlorophenyl)ethoxy]ethenyl]imidazole;nitric acid
CID 161064059
1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole
CID 70531903
[1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
CID 14181966
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 166732164
1-[1-(2,4-dichlorophenyl)-2-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 139707946
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]-hexoxymethanethione
CID 54137183
1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007496
1-[(Z)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479456
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol (CID 54083006) is 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol is CCC(C=C(C(O)c1ccc(Cl)cc1Cl)n1ccnc1)CC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol?
The InChIKey is MOLHMNMYGSFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-3-12(4-2)9-16(21-8-7-20-11-21)17(22)14-6-5-13(18)10-15(14)19/h5-12,17,22H,3-4H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol?
1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol has a molecular weight of 339.27 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol is sourced from PubChem (CID 54083006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).