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

C22H21N3O — CID 808854

IUPACN-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1
InChIInChI=1S/C22H21N3O/c1-16-11-12-20-24-21(18-9-6-10-19(13-18)26-2)22(25(20)15-16)23-14-17-7-4-3-5-8-17/h3-13,15,23H,14H2,1-2H3
InChIKeyIOENROLOXLNJNA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.93
Rot. Bonds5

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

N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 808854) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID808854
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1
InChIInChI=1S/C22H21N3O/c1-16-11-12-20-24-21(18-9-6-10-19(13-18)26-2)22(25(20)15-16)23-14-17-7-4-3-5-8-17/h3-13,15,23H,14H2,1-2H3
InChIKeyIOENROLOXLNJNA-UHFFFAOYSA-N
XLogP4.93
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 808854) is N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is COc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is IOENROLOXLNJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-11-12-20-24-21(18-9-6-10-19(13-18)26-2)22(25(20)15-16)23-14-17-7-4-3-5-8-17/h3-13,15,23H,14H2,1-2H3.
What are the key properties of N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 343.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 808854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).