bis(2,4,5-trimethylimidazol-1-yl)methanone

C13H18N4O — CID 147288953

IUPACbis(2,4,5-trimethylimidazol-1-yl)methanone
SMILESCc1nc(C)n(C(=O)n2c(C)nc(C)c2C)c1C
InChIInChI=1S/C13H18N4O/c1-7-9(3)16(11(5)14-7)13(18)17-10(4)8(2)15-12(17)6/h1-6H3
InChIKeyCTULUKKBLYMHFT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds

About bis(2,4,5-trimethylimidazol-1-yl)methanone

bis(2,4,5-trimethylimidazol-1-yl)methanone (PubChem CID 147288953) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is bis(2,4,5-trimethylimidazol-1-yl)methanone.

Molecular Properties

Compound Namebis(2,4,5-trimethylimidazol-1-yl)methanone
PubChem CID147288953
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namebis(2,4,5-trimethylimidazol-1-yl)methanone
SMILESCc1nc(C)n(C(=O)n2c(C)nc(C)c2C)c1C
InChIInChI=1S/C13H18N4O/c1-7-9(3)16(11(5)14-7)13(18)17-10(4)8(2)15-12(17)6/h1-6H3
InChIKeyCTULUKKBLYMHFT-UHFFFAOYSA-N
XLogP2.45
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2,4,5-trimethylimidazol-1-yl)methanone?
The IUPAC name of bis(2,4,5-trimethylimidazol-1-yl)methanone (CID 147288953) is bis(2,4,5-trimethylimidazol-1-yl)methanone.
What is the SMILES notation for bis(2,4,5-trimethylimidazol-1-yl)methanone?
The canonical SMILES for bis(2,4,5-trimethylimidazol-1-yl)methanone is Cc1nc(C)n(C(=O)n2c(C)nc(C)c2C)c1C.
What is the InChIKey of bis(2,4,5-trimethylimidazol-1-yl)methanone?
The InChIKey is CTULUKKBLYMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-7-9(3)16(11(5)14-7)13(18)17-10(4)8(2)15-12(17)6/h1-6H3.
What are the key properties of bis(2,4,5-trimethylimidazol-1-yl)methanone?
bis(2,4,5-trimethylimidazol-1-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,5-trimethylimidazol-1-yl)methanone is sourced from PubChem (CID 147288953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).