1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol

C15H19BrN2O2 — CID 115821013

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C15H19BrN2O2/c1-3-7-18-8-6-17-15(18)10-13(19)12-5-4-11(16)9-14(12)20-2/h4-6,8-9,13,19H,3,7,10H2,1-2H3
InChIKeyJGBBNRWMSBMBRF-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.34
Rot. Bonds6

About 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol

1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 115821013) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID115821013
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C15H19BrN2O2/c1-3-7-18-8-6-17-15(18)10-13(19)12-5-4-11(16)9-14(12)20-2/h4-6,8-9,13,19H,3,7,10H2,1-2H3
InChIKeyJGBBNRWMSBMBRF-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012339
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-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 107538543
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752627
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066362
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol (CID 115821013) is 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is JGBBNRWMSBMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-7-18-8-6-17-15(18)10-13(19)12-5-4-11(16)9-14(12)20-2/h4-6,8-9,13,19H,3,7,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol?
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 339.23 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 115821013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).