N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

C26H27N3O — CID 56591624

IUPACN-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12
InChIInChI=1S/C26H27N3O/c1-4-28(18-21-8-6-5-7-9-21)25(30)17-23-26(22-12-10-19(2)11-13-22)27-24-16-20(3)14-15-29(23)24/h5-16H,4,17-18H2,1-3H3
InChIKeyWDNQTDRSVLELNO-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.21
Rot. Bonds6

About N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 56591624) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID56591624
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12
InChIInChI=1S/C26H27N3O/c1-4-28(18-21-8-6-5-7-9-21)25(30)17-23-26(22-12-10-19(2)11-13-22)27-24-16-20(3)14-15-29(23)24/h5-16H,4,17-18H2,1-3H3
InChIKeyWDNQTDRSVLELNO-UHFFFAOYSA-N
XLogP5.21
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 56591624) is N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is CCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12.
What is the InChIKey of N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is WDNQTDRSVLELNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-4-28(18-21-8-6-5-7-9-21)25(30)17-23-26(22-12-10-19(2)11-13-22)27-24-16-20(3)14-15-29(23)24/h5-16H,4,17-18H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 56591624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).