6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine

C18H19BrClN3 — CID 74762708

IUPAC6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc2nc(-c3cccc(Cl)c3)c(NC(C)(C)C)n2cc1Br
InChIInChI=1S/C18H19BrClN3/c1-11-8-15-21-16(12-6-5-7-13(20)9-12)17(22-18(2,3)4)23(15)10-14(11)19/h5-10,22H,1-4H3
InChIKeyQZGNCRICQIDMHW-UHFFFAOYSA-N
MW392.73 g/mol
LogP5.94
Rot. Bonds2

About 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine

6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 74762708) has the molecular formula C18H19BrClN3 and a molecular weight of 392.73 g/mol. Its IUPAC name is 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID74762708
Molecular FormulaC18H19BrClN3
Molecular Weight392.73 g/mol
Exact Mass391.05
IUPAC Name6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc2nc(-c3cccc(Cl)c3)c(NC(C)(C)C)n2cc1Br
InChIInChI=1S/C18H19BrClN3/c1-11-8-15-21-16(12-6-5-7-13(20)9-12)17(22-18(2,3)4)23(15)10-14(11)19/h5-10,22H,1-4H3
InChIKeyQZGNCRICQIDMHW-UHFFFAOYSA-N
XLogP5.94
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine (CID 74762708) is 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine is Cc1cc2nc(-c3cccc(Cl)c3)c(NC(C)(C)C)n2cc1Br.
What is the InChIKey of 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is QZGNCRICQIDMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3/c1-11-8-15-21-16(12-6-5-7-13(20)9-12)17(22-18(2,3)4)23(15)10-14(11)19/h5-10,22H,1-4H3.
What are the key properties of 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 392.73 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 74762708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).