2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C18H13BrClN3O — CID 7338128

IUPAC2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H13BrClN3O/c1-11-4-2-3-5-13(11)21-18-17(14-7-8-15(19)24-14)22-16-9-6-12(20)10-23(16)18/h2-10,21H,1H3
InChIKeyNVAITLBPCJVURJ-UHFFFAOYSA-N
MW402.68 g/mol
LogP6.06
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7338128) has the molecular formula C18H13BrClN3O and a molecular weight of 402.68 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7338128
Molecular FormulaC18H13BrClN3O
Molecular Weight402.68 g/mol
Exact Mass400.99
IUPAC Name2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H13BrClN3O/c1-11-4-2-3-5-13(11)21-18-17(14-7-8-15(19)24-14)22-16-9-6-12(20)10-23(16)18/h2-10,21H,1H3
InChIKeyNVAITLBPCJVURJ-UHFFFAOYSA-N
XLogP6.06
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_C(6)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 7338128) is 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccccc1Nc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is NVAITLBPCJVURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O/c1-11-4-2-3-5-13(11)21-18-17(14-7-8-15(19)24-14)22-16-9-6-12(20)10-23(16)18/h2-10,21H,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 402.68 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-6-chloro-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7338128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).