1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one

C15H18N4OS — CID 10804334

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one
SMILESCSc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1
InChIInChI=1S/C15H18N4OS/c1-11-14(17-10-16-11)9-18-6-7-19(15(18)20)12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyGWVJQJAYEQHDBR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.88
Rot. Bonds4

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one (PubChem CID 10804334) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one
PubChem CID10804334
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one
SMILESCSc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1
InChIInChI=1S/C15H18N4OS/c1-11-14(17-10-16-11)9-18-6-7-19(15(18)20)12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyGWVJQJAYEQHDBR-UHFFFAOYSA-N
XLogP2.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one (CID 10804334) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one is CSc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one?
The InChIKey is GWVJQJAYEQHDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-14(17-10-16-11)9-18-6-7-19(15(18)20)12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one has a molecular weight of 302.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)imidazolidin-2-one is sourced from PubChem (CID 10804334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).