2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C11H11Cl2N3O — CID 90681918

IUPAC2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nccn1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-7-1-2-8(9(13)5-7)10(17)6-16-4-3-15-11(16)14/h1-5,10,17H,6H2,(H2,14,15)
InChIKeyNWISIWKJNNMDKJ-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 90681918) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID90681918
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nccn1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-7-1-2-8(9(13)5-7)10(17)6-16-4-3-15-11(16)14/h1-5,10,17H,6H2,(H2,14,15)
InChIKeyNWISIWKJNNMDKJ-UHFFFAOYSA-N
XLogP2.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Miconazole
CID 4189
Imazalil
CID 37175
Econazole
CID 3198
Econazole Nitrate
CID 68589
Miconazole Nitrate
CID 68553
Oxiconazole
CID 5353853
Isoconazole
CID 3760
Imazalil sulfate
CID 173636
(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
(S)-miconazole
CID 969503
Isoconazole Nitrate
CID 159968
2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol
CID 2724686

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 90681918) is 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is Nc1nccn1CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is NWISIWKJNNMDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-7-1-2-8(9(13)5-7)10(17)6-16-4-3-15-11(16)14/h1-5,10,17H,6H2,(H2,14,15).
What are the key properties of 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 272.13 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 90681918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).