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

C20H23N3O2 — CID 95137075

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)Cc1coc3cc(C)c(C)cc13)C2
InChIInChI=1S/C20H23N3O2/c1-12-6-17-15(11-25-18(17)7-13(12)2)8-20(24)22-16-4-5-19-21-14(3)9-23(19)10-16/h6-7,9,11,16H,4-5,8,10H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyKRPAFCVVEJCFSN-MRXNPFEDSA-N
MW337.42 g/mol
LogP3.23
Rot. Bonds3

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

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95137075) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95137075
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)Cc1coc3cc(C)c(C)cc13)C2
InChIInChI=1S/C20H23N3O2/c1-12-6-17-15(11-25-18(17)7-13(12)2)8-20(24)22-16-4-5-19-21-14(3)9-23(19)10-16/h6-7,9,11,16H,4-5,8,10H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyKRPAFCVVEJCFSN-MRXNPFEDSA-N
XLogP3.23
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-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-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95137075) is 2-(5,6-dimethyl-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-(5,6-dimethyl-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-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1coc3cc(C)c(C)cc13)C2.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is KRPAFCVVEJCFSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-6-17-15(11-25-18(17)7-13(12)2)8-20(24)22-16-4-5-19-21-14(3)9-23(19)10-16/h6-7,9,11,16H,4-5,8,10H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-(5,6-dimethyl-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 337.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-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 95137075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).