1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one

C12H17N3O2S — CID 56809947

IUPAC1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one
SMILESCc1ccsc1CN(C)CC(=O)N1CCNC1=O
InChIInChI=1S/C12H17N3O2S/c1-9-3-6-18-10(9)7-14(2)8-11(16)15-5-4-13-12(15)17/h3,6H,4-5,7-8H2,1-2H3,(H,13,17)
InChIKeyVHKUPECPXFSZJN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.04
Rot. Bonds4

About 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one

1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one (PubChem CID 56809947) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one
PubChem CID56809947
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one
SMILESCc1ccsc1CN(C)CC(=O)N1CCNC1=O
InChIInChI=1S/C12H17N3O2S/c1-9-3-6-18-10(9)7-14(2)8-11(16)15-5-4-13-12(15)17/h3,6H,4-5,7-8H2,1-2H3,(H,13,17)
InChIKeyVHKUPECPXFSZJN-UHFFFAOYSA-N
XLogP1.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 39748232
1-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 9261496
1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 8909124
methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8804576
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9433997
N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8804451
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804417
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51544470
4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 65056095
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255751

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one (CID 56809947) is 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one is Cc1ccsc1CN(C)CC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one?
The InChIKey is VHKUPECPXFSZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-3-6-18-10(9)7-14(2)8-11(16)15-5-4-13-12(15)17/h3,6H,4-5,7-8H2,1-2H3,(H,13,17).
What are the key properties of 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one?
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one has a molecular weight of 267.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 56809947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).