1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C12H16ClN3O — CID 82723556

IUPAC1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H16ClN3O/c1-12(2,3)17-14-6-10-8-16-7-9(13)4-5-11(16)15-10/h4-5,7-8,14H,6H2,1-3H3
InChIKeyRAHUMQAJHJQRKC-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.81
Rot. Bonds3

About 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82723556) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82723556
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H16ClN3O/c1-12(2,3)17-14-6-10-8-16-7-9(13)4-5-11(16)15-10/h4-5,7-8,14H,6H2,1-3H3
InChIKeyRAHUMQAJHJQRKC-UHFFFAOYSA-N
XLogP2.81
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82723556) is 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CC(C)(C)ONCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is RAHUMQAJHJQRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(2,3)17-14-6-10-8-16-7-9(13)4-5-11(16)15-10/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 253.73 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82723556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).