N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine

C22H19Br2N3O2 — CID 42738387

IUPACN-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(OC)c(-c2nc3c(Br)cc(Br)cn3c2NCc2ccccc2)c1
InChIInChI=1S/C22H19Br2N3O2/c1-28-16-8-9-19(29-2)17(11-16)20-22(25-12-14-6-4-3-5-7-14)27-13-15(23)10-18(24)21(27)26-20/h3-11,13,25H,12H2,1-2H3
InChIKeyBCPJSCXQOSHNDG-UHFFFAOYSA-N
MW517.22 g/mol
LogP6.16
Rot. Bonds6

About N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine

N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 42738387) has the molecular formula C22H19Br2N3O2 and a molecular weight of 517.22 g/mol. Its IUPAC name is N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID42738387
Molecular FormulaC22H19Br2N3O2
Molecular Weight517.22 g/mol
Exact Mass514.98
IUPAC NameN-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(OC)c(-c2nc3c(Br)cc(Br)cn3c2NCc2ccccc2)c1
InChIInChI=1S/C22H19Br2N3O2/c1-28-16-8-9-19(29-2)17(11-16)20-22(25-12-14-6-4-3-5-7-14)27-13-15(23)10-18(24)21(27)26-20/h3-11,13,25H,12H2,1-2H3
InChIKeyBCPJSCXQOSHNDG-UHFFFAOYSA-N
XLogP6.16
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.22
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740240
N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine
CID 42738388
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 72707053
N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 5212079
6-bromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618087
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-dimethoxybenzoate
CID 3994721
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
[2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
CID 4659842
N-benzyl-8-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 808812
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
[2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] butanoate
CID 4221332
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 3997507

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine (CID 42738387) is N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(OC)c(-c2nc3c(Br)cc(Br)cn3c2NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is BCPJSCXQOSHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2N3O2/c1-28-16-8-9-19(29-2)17(11-16)20-22(25-12-14-6-4-3-5-7-14)27-13-15(23)10-18(24)21(27)26-20/h3-11,13,25H,12H2,1-2H3.
What are the key properties of N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 517.22 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42738387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).