1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C13H14Br2N2O — CID 107978722

IUPAC1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O/c1-17-5-4-16-13(17)3-2-12(18)9-6-10(14)8-11(15)7-9/h4-8,12,18H,2-3H2,1H3
InChIKeyCQMKWHLEVMLXDL-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.61
Rot. Bonds4

About 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 107978722) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID107978722
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O/c1-17-5-4-16-13(17)3-2-12(18)9-6-10(14)8-11(15)7-9/h4-8,12,18H,2-3H2,1H3
InChIKeyCQMKWHLEVMLXDL-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529889
1-(4-bromo-2,6-difluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837980
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529126
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529322
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529824
1-(2-bromo-5-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114027282
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529055

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 107978722) is 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is CQMKWHLEVMLXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-17-5-4-16-13(17)3-2-12(18)9-6-10(14)8-11(15)7-9/h4-8,12,18H,2-3H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 374.08 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 107978722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).