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

C14H17BrN2O — CID 81116918

IUPAC(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(C)ccc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-7-17-8-6-16-14(17)13(18)11-9-10(2)4-5-12(11)15/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyTZQUQDMGRUNOBU-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.45
Rot. Bonds4

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

(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 81116918) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
PubChem CID81116918
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(C)ccc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-7-17-8-6-16-14(17)13(18)11-9-10(2)4-5-12(11)15/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyTZQUQDMGRUNOBU-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

(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 105098446
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
(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
(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
CID 61316871
(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 55125650
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 106791871
1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol (CID 81116918) is (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cc(C)ccc1Br.
What is the InChIKey of (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is TZQUQDMGRUNOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-7-17-8-6-16-14(17)13(18)11-9-10(2)4-5-12(11)15/h4-6,8-9,13,18H,3,7H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol?
(2-bromo-5-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 (2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 81116918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).