(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol

C15H19BrN2O — CID 114329829

IUPAC(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H19BrN2O/c1-4-6-18-7-5-17-15(18)14(19)12-8-10(2)13(16)11(3)9-12/h5,7-9,14,19H,4,6H2,1-3H3
InChIKeyNJPOAQKAABHVBT-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.75
Rot. Bonds4

About (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol

(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 114329829) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
PubChem CID114329829
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H19BrN2O/c1-4-6-18-7-5-17-15(18)14(19)12-8-10(2)13(16)11(3)9-12/h5,7-9,14,19H,4,6H2,1-3H3
InChIKeyNJPOAQKAABHVBT-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 113365536
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
(1-propylimidazol-2-yl)-(1H-pyrazol-4-yl)methanol
CID 63080686
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
CID 103216817
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298
(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
CID 61316871

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol (CID 114329829) is (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is NJPOAQKAABHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-6-18-7-5-17-15(18)14(19)12-8-10(2)13(16)11(3)9-12/h5,7-9,14,19H,4,6H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol?
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 323.23 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 114329829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).