1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol

C12H15Cl2N3O — CID 122082808

IUPAC1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
SMILESCN1CCN=C1NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2N3O/c1-17-6-5-15-12(17)16-7-10(18)11-8(13)3-2-4-9(11)14/h2-4,10,18H,5-7H2,1H3,(H,15,16)
InChIKeyHSAWSPIEVMOTCG-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.92
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol

1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol (PubChem CID 122082808) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
PubChem CID122082808
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
SMILESCN1CCN=C1NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2N3O/c1-17-6-5-15-12(17)16-7-10(18)11-8(13)3-2-4-9(11)14/h2-4,10,18H,5-7H2,1H3,(H,15,16)
InChIKeyHSAWSPIEVMOTCG-UHFFFAOYSA-N
XLogP1.92
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol (CID 122082808) is 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol is CN1CCN=C1NCC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol?
The InChIKey is HSAWSPIEVMOTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-17-6-5-15-12(17)16-7-10(18)11-8(13)3-2-4-9(11)14/h2-4,10,18H,5-7H2,1H3,(H,15,16).
What are the key properties of 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol?
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol has a molecular weight of 288.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol is sourced from PubChem (CID 122082808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).