2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

C19H21N3O2 — CID 95135863

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1ccc2c(CC(=O)N[C@@H]3CCc4nc(C)cn4C3)coc2c1
InChIInChI=1S/C19H21N3O2/c1-12-3-5-16-14(11-24-17(16)7-12)8-19(23)21-15-4-6-18-20-13(2)9-22(18)10-15/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyQEDKRBJEEYKXQF-OAHLLOKOSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds3

About 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95135863) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95135863
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1ccc2c(CC(=O)N[C@@H]3CCc4nc(C)cn4C3)coc2c1
InChIInChI=1S/C19H21N3O2/c1-12-3-5-16-14(11-24-17(16)7-12)8-19(23)21-15-4-6-18-20-13(2)9-22(18)10-15/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyQEDKRBJEEYKXQF-OAHLLOKOSA-N
XLogP2.92
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95135863) is 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is Cc1ccc2c(CC(=O)N[C@@H]3CCc4nc(C)cn4C3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is QEDKRBJEEYKXQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-3-5-16-14(11-24-17(16)7-12)8-19(23)21-15-4-6-18-20-13(2)9-22(18)10-15/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95135863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).