2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C14H15Cl2N3O — CID 90644772

IUPAC2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc(C2CC2)cn1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c15-9-3-4-10(11(16)5-9)13(20)7-19-6-12(8-1-2-8)18-14(19)17/h3-6,8,13,20H,1-2,7H2,(H2,17,18)
InChIKeyHXADAYAVRFSXMU-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.38
Rot. Bonds4

About 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 90644772) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID90644772
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc(C2CC2)cn1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c15-9-3-4-10(11(16)5-9)13(20)7-19-6-12(8-1-2-8)18-14(19)17/h3-6,8,13,20H,1-2,7H2,(H2,17,18)
InChIKeyHXADAYAVRFSXMU-UHFFFAOYSA-N
XLogP3.38
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Imazalil
CID 37175
(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
(R)-Enilconazole
CID 6604394
1-Cyclohexyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 44523522
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanol
CID 44570656
[1-methyl-2-(propan-2-yl)-1H-imidazol-5-yl](phenyl)methanol
CID 3291165
alpha-(4-Chlorophenyl)-1H-imidazole-1-ethanol
CID 91130
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium
CID 3240397
2-(2-Aminoimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
CID 90644775
2-(2-Amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644777
2-(2-Amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644778
2-(2-Aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90681918

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 90644772) is 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is Nc1nc(C2CC2)cn1CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is HXADAYAVRFSXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-9-3-4-10(11(16)5-9)13(20)7-19-6-12(8-1-2-8)18-14(19)17/h3-6,8,13,20H,1-2,7H2,(H2,17,18).
What are the key properties of 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 312.20 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 90644772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).