1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one

C13H20N4O2 — CID 13466287

IUPAC1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one
SMILESCc1c(Cc2c(C)n(C)c(=O)n2C)n(C)c(=O)n1C
InChIInChI=1S/C13H20N4O2/c1-8-10(16(5)12(18)14(8)3)7-11-9(2)15(4)13(19)17(11)6/h7H2,1-6H3
InChIKeyGCFLPRQYIDRAAO-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.03
Rot. Bonds2

About 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one

1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one (PubChem CID 13466287) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one
PubChem CID13466287
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one
SMILESCc1c(Cc2c(C)n(C)c(=O)n2C)n(C)c(=O)n1C
InChIInChI=1S/C13H20N4O2/c1-8-10(16(5)12(18)14(8)3)7-11-9(2)15(4)13(19)17(11)6/h7H2,1-6H3
InChIKeyGCFLPRQYIDRAAO-UHFFFAOYSA-N
XLogP-0.03
TPSA53.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one?
The IUPAC name of 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one (CID 13466287) is 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one is Cc1c(Cc2c(C)n(C)c(=O)n2C)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one?
The InChIKey is GCFLPRQYIDRAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-10(16(5)12(18)14(8)3)7-11-9(2)15(4)13(19)17(11)6/h7H2,1-6H3.
What are the key properties of 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one?
1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one has a molecular weight of 264.33 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-[(1,3,5-trimethyl-2-oxoimidazol-4-yl)methyl]imidazol-2-one is sourced from PubChem (CID 13466287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).