1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol

C14H15BrF2N2O — CID 107538543

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H15BrF2N2O/c1-2-6-19-7-5-18-12(19)8-11(20)9-3-4-10(16)14(17)13(9)15/h3-5,7,11,20H,2,6,8H2,1H3
InChIKeyDGQORPYADINAGO-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol

1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 107538543) has the molecular formula C14H15BrF2N2O and a molecular weight of 345.19 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID107538543
Molecular FormulaC14H15BrF2N2O
Molecular Weight345.19 g/mol
Exact Mass344.03
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H15BrF2N2O/c1-2-6-19-7-5-18-12(19)8-11(20)9-3-4-10(16)14(17)13(9)15/h3-5,7,11,20H,2,6,8H2,1H3
InChIKeyDGQORPYADINAGO-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989
1-(2,6-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744137
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752627
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107538377
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 107978538
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol (CID 107538543) is 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is DGQORPYADINAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2O/c1-2-6-19-7-5-18-12(19)8-11(20)9-3-4-10(16)14(17)13(9)15/h3-5,7,11,20H,2,6,8H2,1H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 345.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 107538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).