1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine

C16H15BrN2O — CID 84744970

IUPAC1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(CCOc3ccccc3)nc(Br)c2c1
InChIInChI=1S/C16H15BrN2O/c1-12-7-9-19-14(11-12)16(17)18-15(19)8-10-20-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3
InChIKeyGFVAQSUESSDDMX-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.03
Rot. Bonds4

About 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine

1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine (PubChem CID 84744970) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine
PubChem CID84744970
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(CCOc3ccccc3)nc(Br)c2c1
InChIInChI=1S/C16H15BrN2O/c1-12-7-9-19-14(11-12)16(17)18-15(19)8-10-20-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3
InChIKeyGFVAQSUESSDDMX-UHFFFAOYSA-N
XLogP4.03
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 84744103
1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine
CID 117246974
3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 117254173
1-bromo-7-methylimidazo[1,5-a]pyridin-3-amine
CID 83867496
1-bromo-7-methyl-3-(4-methylphenyl)imidazo[1,5-a]pyridine
CID 84744102
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
2-(1,7-dibromoimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117253946
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518
3-methyl-2-(2-phenoxyethyl)benzimidazole-5-carbonitrile
CID 104712639
1-bromo-3-(2-hydroxyethyl)imidazo[1,5-a]pyridin-7-ol
CID 117251550
2,7-dimethyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134140165

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine (CID 84744970) is 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine is Cc1ccn2c(CCOc3ccccc3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine?
The InChIKey is GFVAQSUESSDDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-12-7-9-19-14(11-12)16(17)18-15(19)8-10-20-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine?
1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine has a molecular weight of 331.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 84744970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).