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

C15H18N4O — CID 10492280

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1
InChIInChI=1S/C15H18N4O/c1-11-4-3-5-13(8-11)19-7-6-18(15(19)20)9-14-12(2)16-10-17-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyWJZWQSHGJKMWIS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.47
Rot. Bonds3

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

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one (PubChem CID 10492280) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
PubChem CID10492280
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1
InChIInChI=1S/C15H18N4O/c1-11-4-3-5-13(8-11)19-7-6-18(15(19)20)9-14-12(2)16-10-17-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyWJZWQSHGJKMWIS-UHFFFAOYSA-N
XLogP2.47
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one (CID 10492280) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one is Cc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one?
The InChIKey is WJZWQSHGJKMWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-4-3-5-13(8-11)19-7-6-18(15(19)20)9-14-12(2)16-10-17-14/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-methylphenyl)imidazolidin-2-one?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 10492280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).