5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one

C17H26N2O — CID 83243440

IUPAC5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NC(C)C(=O)N2C(C)CC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(2)9-13(4)19-16(18-14(5)17(19)20)15-8-6-7-12(3)10-15/h6-8,10-11,13-14,16,18H,9H2,1-5H3
InChIKeyJTVUQFAMKDZVQU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.25
Rot. Bonds4

About 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one

5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 83243440) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID83243440
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NC(C)C(=O)N2C(C)CC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(2)9-13(4)19-16(18-14(5)17(19)20)15-8-6-7-12(3)10-15/h6-8,10-11,13-14,16,18H,9H2,1-5H3
InChIKeyJTVUQFAMKDZVQU-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one (CID 83243440) is 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one is Cc1cccc(C2NC(C)C(=O)N2C(C)CC(C)C)c1.
What is the InChIKey of 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is JTVUQFAMKDZVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)9-13(4)19-16(18-14(5)17(19)20)15-8-6-7-12(3)10-15/h6-8,10-11,13-14,16,18H,9H2,1-5H3.
What are the key properties of 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one?
5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83243440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).