2-(3-bromo-4-propoxyphenyl)-1-methylimidazole

C13H15BrN2O — CID 110538855

IUPAC2-(3-bromo-4-propoxyphenyl)-1-methylimidazole
SMILESCCCOc1ccc(-c2nccn2C)cc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-8-17-12-5-4-10(9-11(12)14)13-15-6-7-16(13)2/h4-7,9H,3,8H2,1-2H3
InChIKeyRHPOXFSVVMWMLF-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.64
Rot. Bonds4

About 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole

2-(3-bromo-4-propoxyphenyl)-1-methylimidazole (PubChem CID 110538855) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-propoxyphenyl)-1-methylimidazole
PubChem CID110538855
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(3-bromo-4-propoxyphenyl)-1-methylimidazole
SMILESCCCOc1ccc(-c2nccn2C)cc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-8-17-12-5-4-10(9-11(12)14)13-15-6-7-16(13)2/h4-7,9H,3,8H2,1-2H3
InChIKeyRHPOXFSVVMWMLF-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole
CID 58947204
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
2-(4-chloro-3-methylphenyl)-1-methylimidazole
CID 172691387
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
2-(2-bromo-4-methylphenoxy)-1-methylimidazole
CID 62132553
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207
1-(5-bromo-2-propoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237378
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
bis(1-methyl-2-phenylimidazole);pentane
CID 134304641
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole?
The IUPAC name of 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole (CID 110538855) is 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole.
What is the SMILES notation for 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole?
The canonical SMILES for 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole is CCCOc1ccc(-c2nccn2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole?
The InChIKey is RHPOXFSVVMWMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-8-17-12-5-4-10(9-11(12)14)13-15-6-7-16(13)2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole?
2-(3-bromo-4-propoxyphenyl)-1-methylimidazole has a molecular weight of 295.18 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-propoxyphenyl)-1-methylimidazole is sourced from PubChem (CID 110538855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).