N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline

C15H14ClN3O — CID 78912735

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C15H14ClN3O/c1-20-14-5-3-12(4-6-14)17-8-13-10-19-9-11(16)2-7-15(19)18-13/h2-7,9-10,17H,8H2,1H3
InChIKeyURHQCCHVVXUXKB-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.61
Rot. Bonds4

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline (PubChem CID 78912735) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline
PubChem CID78912735
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C15H14ClN3O/c1-20-14-5-3-12(4-6-14)17-8-13-10-19-9-11(16)2-7-15(19)18-13/h2-7,9-10,17H,8H2,1H3
InChIKeyURHQCCHVVXUXKB-UHFFFAOYSA-N
XLogP3.61
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline (CID 78912735) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline is COc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline?
The InChIKey is URHQCCHVVXUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-20-14-5-3-12(4-6-14)17-8-13-10-19-9-11(16)2-7-15(19)18-13/h2-7,9-10,17H,8H2,1H3.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline has a molecular weight of 287.75 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 78912735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).