(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol

C14H17BrN2O — CID 65311695

IUPAC(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(Br)ccc1C
InChIInChI=1S/C14H17BrN2O/c1-3-7-17-8-6-16-14(17)13(18)12-9-11(15)5-4-10(12)2/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyFQMXAZLYKLNRPU-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.45
Rot. Bonds4

About (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol

(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 65311695) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
PubChem CID65311695
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(Br)ccc1C
InChIInChI=1S/C14H17BrN2O/c1-3-7-17-8-6-16-14(17)13(18)12-9-11(15)5-4-10(12)2/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyFQMXAZLYKLNRPU-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
CID 61316871
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 113365536
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol (CID 65311695) is (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cc(Br)ccc1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is FQMXAZLYKLNRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-7-17-8-6-16-14(17)13(18)12-9-11(15)5-4-10(12)2/h4-6,8-9,13,18H,3,7H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol?
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 309.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 65311695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).