6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine

C22H25BrN2O — CID 51361279

IUPAC6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(C3CCCCC3)nc3ccc(Br)cn23)c(C)c1
InChIInChI=1S/C22H25BrN2O/c1-15-12-19(26-2)10-8-17(15)13-20-22(16-6-4-3-5-7-16)24-21-11-9-18(23)14-25(20)21/h8-12,14,16H,3-7,13H2,1-2H3
InChIKeyOUUHLFNMJSJIRC-UHFFFAOYSA-N
MW413.36 g/mol
LogP6.05
Rot. Bonds4

About 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine

6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 51361279) has the molecular formula C22H25BrN2O and a molecular weight of 413.36 g/mol. Its IUPAC name is 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID51361279
Molecular FormulaC22H25BrN2O
Molecular Weight413.36 g/mol
Exact Mass412.12
IUPAC Name6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(C3CCCCC3)nc3ccc(Br)cn23)c(C)c1
InChIInChI=1S/C22H25BrN2O/c1-15-12-19(26-2)10-8-17(15)13-20-22(16-6-4-3-5-7-16)24-21-11-9-18(23)14-25(20)21/h8-12,14,16H,3-7,13H2,1-2H3
InChIKeyOUUHLFNMJSJIRC-UHFFFAOYSA-N
XLogP6.05
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.36
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine (CID 51361279) is 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine is COc1ccc(Cc2c(C3CCCCC3)nc3ccc(Br)cn23)c(C)c1.
What is the InChIKey of 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is OUUHLFNMJSJIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O/c1-15-12-19(26-2)10-8-17(15)13-20-22(16-6-4-3-5-7-16)24-21-11-9-18(23)14-25(20)21/h8-12,14,16H,3-7,13H2,1-2H3.
What are the key properties of 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 413.36 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).