6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine

C21H16BrClN2O — CID 51360616

IUPAC6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12
InChIInChI=1S/C21H16BrClN2O/c1-26-19-8-3-2-5-14(19)12-18-21(15-6-4-7-17(23)11-15)24-20-10-9-16(22)13-25(18)20/h2-11,13H,12H2,1H3
InChIKeyPQVPKSOAEMAHQP-UHFFFAOYSA-N
MW427.73 g/mol
LogP6.02
Rot. Bonds4

About 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine

6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 51360616) has the molecular formula C21H16BrClN2O and a molecular weight of 427.73 g/mol. Its IUPAC name is 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID51360616
Molecular FormulaC21H16BrClN2O
Molecular Weight427.73 g/mol
Exact Mass426.01
IUPAC Name6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12
InChIInChI=1S/C21H16BrClN2O/c1-26-19-8-3-2-5-14(19)12-18-21(15-6-4-7-17(23)11-15)24-20-10-9-16(22)13-25(18)20/h2-11,13H,12H2,1H3
InChIKeyPQVPKSOAEMAHQP-UHFFFAOYSA-N
XLogP6.02
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.73
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine (CID 51360616) is 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine is COc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is PQVPKSOAEMAHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN2O/c1-26-19-8-3-2-5-14(19)12-18-21(15-6-4-7-17(23)11-15)24-20-10-9-16(22)13-25(18)20/h2-11,13H,12H2,1H3.
What are the key properties of 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 427.73 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).