1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

C17H24N4O2S — CID 110117067

IUPAC1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCOC(c3ncc(CN(C)C)[nH]3)C2)s1
InChIInChI=1S/C17H24N4O2S/c1-12-4-5-14(24-12)8-16(22)21-6-7-23-15(11-21)17-18-9-13(19-17)10-20(2)3/h4-5,9,15H,6-8,10-11H2,1-3H3,(H,18,19)
InChIKeySCGQAWGXWRXDOP-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 110117067) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID110117067
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCOC(c3ncc(CN(C)C)[nH]3)C2)s1
InChIInChI=1S/C17H24N4O2S/c1-12-4-5-14(24-12)8-16(22)21-6-7-23-15(11-21)17-18-9-13(19-17)10-20(2)3/h4-5,9,15H,6-8,10-11H2,1-3H3,(H,18,19)
InChIKeySCGQAWGXWRXDOP-UHFFFAOYSA-N
XLogP1.98
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 110117067) is 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is Cc1ccc(CC(=O)N2CCOC(c3ncc(CN(C)C)[nH]3)C2)s1.
What is the InChIKey of 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is SCGQAWGXWRXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-4-5-14(24-12)8-16(22)21-6-7-23-15(11-21)17-18-9-13(19-17)10-20(2)3/h4-5,9,15H,6-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 348.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 110117067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).