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

C17H20ClN3O2 — CID 95138698

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)COCc1ccccc1Cl)C2
InChIInChI=1S/C17H20ClN3O2/c1-12-8-21-9-14(6-7-16(21)19-12)20-17(22)11-23-10-13-4-2-3-5-15(13)18/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyLRABPMLGQRILNJ-CQSZACIVSA-N
MW333.82 g/mol
LogP2.49
Rot. Bonds5

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

2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95138698) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95138698
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)COCc1ccccc1Cl)C2
InChIInChI=1S/C17H20ClN3O2/c1-12-8-21-9-14(6-7-16(21)19-12)20-17(22)11-23-10-13-4-2-3-5-15(13)18/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyLRABPMLGQRILNJ-CQSZACIVSA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95138698) is 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is Cc1cn2c(n1)CC[C@@H](NC(=O)COCc1ccccc1Cl)C2.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is LRABPMLGQRILNJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-8-21-9-14(6-7-16(21)19-12)20-17(22)11-23-10-13-4-2-3-5-15(13)18/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95138698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).