1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one

C16H18N4O2S — CID 51236326

IUPAC1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C16H18N4O2S/c1-11-4-3-5-13(10-11)19-8-7-18-16(19)23-12(2)14(21)20-9-6-17-15(20)22/h3-5,7-8,10,12H,6,9H2,1-2H3,(H,17,22)
InChIKeyNRSKUYPACCKJEQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 51236326) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID51236326
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C16H18N4O2S/c1-11-4-3-5-13(10-11)19-8-7-18-16(19)23-12(2)14(21)20-9-6-17-15(20)22/h3-5,7-8,10,12H,6,9H2,1-2H3,(H,17,22)
InChIKeyNRSKUYPACCKJEQ-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
1-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 78819708
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091670
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8861400
1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 40675754
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 41434180
(2S)-N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51481324
1-[(2S)-2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 40677752

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 51236326) is 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one is Cc1cccc(-n2ccnc2SC(C)C(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is NRSKUYPACCKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11-4-3-5-13(10-11)19-8-7-18-16(19)23-12(2)14(21)20-9-6-17-15(20)22/h3-5,7-8,10,12H,6,9H2,1-2H3,(H,17,22).
What are the key properties of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 330.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 51236326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).