2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine

C18H16BrFN2O — CID 177064329

IUPAC2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2c(CC3CO3)c(-c3c(C)cc(Br)cc3F)nc2c1
InChIInChI=1S/C18H16BrFN2O/c1-10-3-4-22-15(8-13-9-23-13)18(21-16(22)5-10)17-11(2)6-12(19)7-14(17)20/h3-7,13H,8-9H2,1-2H3
InChIKeyBXVQKVYWSIMMLN-UHFFFAOYSA-N
MW375.24 g/mol
LogP4.46
Rot. Bonds3

About 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine

2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 177064329) has the molecular formula C18H16BrFN2O and a molecular weight of 375.24 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID177064329
Molecular FormulaC18H16BrFN2O
Molecular Weight375.24 g/mol
Exact Mass374.04
IUPAC Name2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2c(CC3CO3)c(-c3c(C)cc(Br)cc3F)nc2c1
InChIInChI=1S/C18H16BrFN2O/c1-10-3-4-22-15(8-13-9-23-13)18(21-16(22)5-10)17-11(2)6-12(19)7-14(17)20/h3-7,13H,8-9H2,1-2H3
InChIKeyBXVQKVYWSIMMLN-UHFFFAOYSA-N
XLogP4.46
TPSA29.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine (CID 177064329) is 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccn2c(CC3CO3)c(-c3c(C)cc(Br)cc3F)nc2c1.
What is the InChIKey of 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is BXVQKVYWSIMMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O/c1-10-3-4-22-15(8-13-9-23-13)18(21-16(22)5-10)17-11(2)6-12(19)7-14(17)20/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine?
2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 375.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 177064329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).