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

C16H15Cl2N3 — CID 78818376

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1cn2cc(Cl)ccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3/c1-11(12-2-4-13(17)5-3-12)19-8-15-10-21-9-14(18)6-7-16(21)20-15/h2-7,9-11,19H,8H2,1H3
InChIKeyXBZLWSJLTZHGRB-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.49
Rot. Bonds4

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

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 78818376) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine
PubChem CID78818376
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1cn2cc(Cl)ccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3/c1-11(12-2-4-13(17)5-3-12)19-8-15-10-21-9-14(18)6-7-16(21)20-15/h2-7,9-11,19H,8H2,1H3
InChIKeyXBZLWSJLTZHGRB-UHFFFAOYSA-N
XLogP4.49
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine (CID 78818376) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine is CC(NCc1cn2cc(Cl)ccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is XBZLWSJLTZHGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-11(12-2-4-13(17)5-3-12)19-8-15-10-21-9-14(18)6-7-16(21)20-15/h2-7,9-11,19H,8H2,1H3.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 320.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 78818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).