N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

C21H18ClN3O — CID 5212079

IUPACN-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccccc1
InChIInChI=1S/C21H18ClN3O/c1-26-18-10-6-5-9-17(18)20-21(23-13-15-7-3-2-4-8-15)25-14-16(22)11-12-19(25)24-20/h2-12,14,23H,13H2,1H3
InChIKeyMLAAYBTUQFOXFI-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.28
Rot. Bonds5

About N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 5212079) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID5212079
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC NameN-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccccc1
InChIInChI=1S/C21H18ClN3O/c1-26-18-10-6-5-9-17(18)20-21(23-13-15-7-3-2-4-8-15)25-14-16(22)11-12-19(25)24-20/h2-12,14,23H,13H2,1H3
InChIKeyMLAAYBTUQFOXFI-UHFFFAOYSA-N
XLogP5.28
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine (CID 5212079) is N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine is COc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccccc1.
What is the InChIKey of N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is MLAAYBTUQFOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-26-18-10-6-5-9-17(18)20-21(23-13-15-7-3-2-4-8-15)25-14-16(22)11-12-19(25)24-20/h2-12,14,23H,13H2,1H3.
What are the key properties of N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 363.85 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 5212079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).