1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine

C16H16ClN3O — CID 106485994

IUPAC1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2cn3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H16ClN3O/c1-18-8-12-3-2-4-15(7-12)21-11-14-10-20-9-13(17)5-6-16(20)19-14/h2-7,9-10,18H,8,11H2,1H3
InChIKeyLZSMEACWJANRTJ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.29
Rot. Bonds5

About 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 106485994) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID106485994
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2cn3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H16ClN3O/c1-18-8-12-3-2-4-15(7-12)21-11-14-10-20-9-13(17)5-6-16(20)19-14/h2-7,9-10,18H,8,11H2,1H3
InChIKeyLZSMEACWJANRTJ-UHFFFAOYSA-N
XLogP3.29
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 106485994) is 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCc2cn3cc(Cl)ccc3n2)c1.
What is the InChIKey of 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is LZSMEACWJANRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-18-8-12-3-2-4-15(7-12)21-11-14-10-20-9-13(17)5-6-16(20)19-14/h2-7,9-10,18H,8,11H2,1H3.
What are the key properties of 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 301.78 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106485994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).