1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol

C14H18ClN3O — CID 79752627

IUPAC1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H18ClN3O/c1-2-6-18-7-5-17-14(18)9-13(19)11-4-3-10(15)8-12(11)16/h3-5,7-8,13,19H,2,6,9,16H2,1H3
InChIKeyIQWFUXCOERHLFN-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol

1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 79752627) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID79752627
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H18ClN3O/c1-2-6-18-7-5-17-14(18)9-13(19)11-4-3-10(15)8-12(11)16/h3-5,7-8,13,19H,2,6,9,16H2,1H3
InChIKeyIQWFUXCOERHLFN-UHFFFAOYSA-N
XLogP2.80
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395
1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989
1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 107538543
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
1-(5-chlorofuran-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 106693891
1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 114239445
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 103216978
1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115566560

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol (CID 79752627) is 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1ccc(Cl)cc1N.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is IQWFUXCOERHLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-2-6-18-7-5-17-14(18)9-13(19)11-4-3-10(15)8-12(11)16/h3-5,7-8,13,19H,2,6,9,16H2,1H3.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 279.77 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 79752627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).