6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine

C18H19BrClN3 — CID 74762709

IUPAC6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(NC(C)(C)C)c(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H19BrClN3/c1-11-8-13(19)10-23-16(11)21-15(17(23)22-18(2,3)4)12-6-5-7-14(20)9-12/h5-10,22H,1-4H3
InChIKeyPKSXAPBVYBUCIY-UHFFFAOYSA-N
MW392.73 g/mol
LogP5.94
Rot. Bonds2

About 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine

6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 74762709) 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)-8-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID74762709
Molecular FormulaC18H19BrClN3
Molecular Weight392.73 g/mol
Exact Mass391.05
IUPAC Name6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(NC(C)(C)C)c(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H19BrClN3/c1-11-8-13(19)10-23-16(11)21-15(17(23)22-18(2,3)4)12-6-5-7-14(20)9-12/h5-10,22H,1-4H3
InChIKeyPKSXAPBVYBUCIY-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)-8-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine (CID 74762709) is 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine is Cc1cc(Br)cn2c(NC(C)(C)C)c(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is PKSXAPBVYBUCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3/c1-11-8-13(19)10-23-16(11)21-15(17(23)22-18(2,3)4)12-6-5-7-14(20)9-12/h5-10,22H,1-4H3.
What are the key properties of 6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine?
6-bromo-N-tert-butyl-2-(3-chlorophenyl)-8-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)-8-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 74762709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).