1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C15H19BrN2O — CID 114529889

IUPAC1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCc1cc(C(O)CCc2nccn2C)cc(C)c1Br
InChIInChI=1S/C15H19BrN2O/c1-10-8-12(9-11(2)15(10)16)13(19)4-5-14-17-6-7-18(14)3/h6-9,13,19H,4-5H2,1-3H3
InChIKeySULPPRQCCDYERX-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529889) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529889
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCc1cc(C(O)CCc2nccn2C)cc(C)c1Br
InChIInChI=1S/C15H19BrN2O/c1-10-8-12(9-11(2)15(10)16)13(19)4-5-14-17-6-7-18(14)3/h6-9,13,19H,4-5H2,1-3H3
InChIKeySULPPRQCCDYERX-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
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-2,6-difluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837980
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-(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-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529889) is 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cc1cc(C(O)CCc2nccn2C)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is SULPPRQCCDYERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10-8-12(9-11(2)15(10)16)13(19)4-5-14-17-6-7-18(14)3/h6-9,13,19H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 323.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).