6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C21H18BrN3O — CID 7338761

IUPAC6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H18BrN3O/c1-14-3-8-17(9-4-14)23-21-20(15-5-10-18(26-2)11-6-15)24-19-12-7-16(22)13-25(19)21/h3-13,23H,1-2H3
InChIKeyYVRFKDNXKJDQGY-UHFFFAOYSA-N
MW408.30 g/mol
LogP5.82
Rot. Bonds4

About 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7338761) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7338761
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC Name6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H18BrN3O/c1-14-3-8-17(9-4-14)23-21-20(15-5-10-18(26-2)11-6-15)24-19-12-7-16(22)13-25(19)21/h3-13,23H,1-2H3
InChIKeyYVRFKDNXKJDQGY-UHFFFAOYSA-N
XLogP5.82
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 7338761) is 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is YVRFKDNXKJDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O/c1-14-3-8-17(9-4-14)23-21-20(15-5-10-18(26-2)11-6-15)24-19-12-7-16(22)13-25(19)21/h3-13,23H,1-2H3.
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 408.30 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7338761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).