1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol

C15H19BrN2O — CID 79762429

IUPAC1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-2-8-18-9-7-17-15(18)11-14(19)10-12-3-5-13(16)6-4-12/h3-7,9,14,19H,2,8,10-11H2,1H3
InChIKeyJQBRVJPJCZHHDO-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.20
Rot. Bonds6

About 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol

1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol (PubChem CID 79762429) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
PubChem CID79762429
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-2-8-18-9-7-17-15(18)11-14(19)10-12-3-5-13(16)6-4-12/h3-7,9,14,19H,2,8,10-11H2,1H3
InChIKeyJQBRVJPJCZHHDO-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311
1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956131
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751631
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013
1-(5-chlorofuran-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 106693891
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116
1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 107538543
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115566560
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol (CID 79762429) is 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol is CCCn1ccnc1CC(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
The InChIKey is JQBRVJPJCZHHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-8-18-9-7-17-15(18)11-14(19)10-12-3-5-13(16)6-4-12/h3-7,9,14,19H,2,8,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol has a molecular weight of 323.23 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79762429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).