1,3,4-trimethyl-5-propan-2-ylimidazol-2-one

C9H16N2O — CID 137448132

IUPAC1,3,4-trimethyl-5-propan-2-ylimidazol-2-one
SMILESCc1c(C(C)C)n(C)c(=O)n1C
InChIInChI=1S/C9H16N2O/c1-6(2)8-7(3)10(4)9(12)11(8)5/h6H,1-5H3
InChIKeyWULHAEVKYRIGAM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.16
Rot. Bonds1

About 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one

1,3,4-trimethyl-5-propan-2-ylimidazol-2-one (PubChem CID 137448132) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-propan-2-ylimidazol-2-one
PubChem CID137448132
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1,3,4-trimethyl-5-propan-2-ylimidazol-2-one
SMILESCc1c(C(C)C)n(C)c(=O)n1C
InChIInChI=1S/C9H16N2O/c1-6(2)8-7(3)10(4)9(12)11(8)5/h6H,1-5H3
InChIKeyWULHAEVKYRIGAM-UHFFFAOYSA-N
XLogP1.16
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one?
The IUPAC name of 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one (CID 137448132) is 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one is Cc1c(C(C)C)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one?
The InChIKey is WULHAEVKYRIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)8-7(3)10(4)9(12)11(8)5/h6H,1-5H3.
What are the key properties of 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one?
1,3,4-trimethyl-5-propan-2-ylimidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-propan-2-ylimidazol-2-one is sourced from PubChem (CID 137448132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).