1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol

C13H15Cl2N3O — CID 61463037

IUPAC1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1ccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3O/c14-10-1-2-12(15)11(7-10)13(19)8-16-3-5-18-6-4-17-9-18/h1-2,4,6-7,9,13,16,19H,3,5,8H2
InChIKeySSSBCRIHRUUECV-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.51
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol

1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol (PubChem CID 61463037) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol
PubChem CID61463037
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1ccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3O/c14-10-1-2-12(15)11(7-10)13(19)8-16-3-5-18-6-4-17-9-18/h1-2,4,6-7,9,13,16,19H,3,5,8H2
InChIKeySSSBCRIHRUUECV-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61462995
N-[(2-chloro-5-fluorophenyl)methyl]-2-imidazol-1-ylethanamine
CID 102615563
1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935215
1-(2,5-dichlorophenyl)-2-(pent-4-ynylamino)ethanol
CID 114160110
2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47061387
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
CID 156700970

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol (CID 61463037) is 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol is OC(CNCCn1ccnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol?
The InChIKey is SSSBCRIHRUUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-10-1-2-12(15)11(7-10)13(19)8-16-3-5-18-6-4-17-9-18/h1-2,4,6-7,9,13,16,19H,3,5,8H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol?
1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol has a molecular weight of 300.19 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol is sourced from PubChem (CID 61463037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).