6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine

C22H25BrN2 — CID 53299766

IUPAC6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccccc3)c(CC3CCCCC3)n2c(C)c1Br
InChIInChI=1S/C22H25BrN2/c1-15-13-20-24-22(18-11-7-4-8-12-18)19(25(20)16(2)21(15)23)14-17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3
InChIKeyOYTYFKZJBBEZRM-UHFFFAOYSA-N
MW397.36 g/mol
LogP6.50
Rot. Bonds3

About 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine

6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine (PubChem CID 53299766) has the molecular formula C22H25BrN2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
PubChem CID53299766
Molecular FormulaC22H25BrN2
Molecular Weight397.36 g/mol
Exact Mass396.12
IUPAC Name6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccccc3)c(CC3CCCCC3)n2c(C)c1Br
InChIInChI=1S/C22H25BrN2/c1-15-13-20-24-22(18-11-7-4-8-12-18)19(25(20)16(2)21(15)23)14-17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3
InChIKeyOYTYFKZJBBEZRM-UHFFFAOYSA-N
XLogP6.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine (CID 53299766) is 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine is Cc1cc2nc(-c3ccccc3)c(CC3CCCCC3)n2c(C)c1Br.
What is the InChIKey of 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is OYTYFKZJBBEZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2/c1-15-13-20-24-22(18-11-7-4-8-12-18)19(25(20)16(2)21(15)23)14-17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3.
What are the key properties of 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 397.36 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(cyclohexylmethyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 53299766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).