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

C12H13Cl2N3O — CID 90644777

IUPAC2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESCc1cn(CC(O)c2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C12H13Cl2N3O/c1-7-5-17(12(15)16-7)6-11(18)9-3-2-8(13)4-10(9)14/h2-5,11,18H,6H2,1H3,(H2,15,16)
InChIKeyRPROYMMSQHRAPC-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.81
Rot. Bonds3

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

2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 90644777) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID90644777
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESCc1cn(CC(O)c2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C12H13Cl2N3O/c1-7-5-17(12(15)16-7)6-11(18)9-3-2-8(13)4-10(9)14/h2-5,11,18H,6H2,1H3,(H2,15,16)
InChIKeyRPROYMMSQHRAPC-UHFFFAOYSA-N
XLogP2.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.81
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
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
(R)-Enilconazole
CID 6604394
4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride
CID 20282236
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-Amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644772
2-(2-Aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644774

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 90644777) is 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is Cc1cn(CC(O)c2ccc(Cl)cc2Cl)c(N)n1.
What is the InChIKey of 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is RPROYMMSQHRAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-7-5-17(12(15)16-7)6-11(18)9-3-2-8(13)4-10(9)14/h2-5,11,18H,6H2,1H3,(H2,15,16).
What are the key properties of 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 286.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 90644777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).