bis(3-methyl-2H-imidazol-1-yl)methanone

C9H14N4O — CID 18944350

IUPACbis(3-methyl-2H-imidazol-1-yl)methanone
SMILESCN1C=CN(C(=O)N2C=CN(C)C2)C1
InChIInChI=1S/C9H14N4O/c1-10-3-5-12(7-10)9(14)13-6-4-11(2)8-13/h3-6H,7-8H2,1-2H3
InChIKeyGFVSGYZTHIWCDG-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.46
Rot. Bonds

About bis(3-methyl-2H-imidazol-1-yl)methanone

bis(3-methyl-2H-imidazol-1-yl)methanone (PubChem CID 18944350) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is bis(3-methyl-2H-imidazol-1-yl)methanone.

Molecular Properties

Compound Namebis(3-methyl-2H-imidazol-1-yl)methanone
PubChem CID18944350
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Namebis(3-methyl-2H-imidazol-1-yl)methanone
SMILESCN1C=CN(C(=O)N2C=CN(C)C2)C1
InChIInChI=1S/C9H14N4O/c1-10-3-5-12(7-10)9(14)13-6-4-11(2)8-13/h3-6H,7-8H2,1-2H3
InChIKeyGFVSGYZTHIWCDG-UHFFFAOYSA-N
XLogP0.46
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(3-methyl-2H-imidazol-1-yl)methanone?
The IUPAC name of bis(3-methyl-2H-imidazol-1-yl)methanone (CID 18944350) is bis(3-methyl-2H-imidazol-1-yl)methanone.
What is the SMILES notation for bis(3-methyl-2H-imidazol-1-yl)methanone?
The canonical SMILES for bis(3-methyl-2H-imidazol-1-yl)methanone is CN1C=CN(C(=O)N2C=CN(C)C2)C1.
What is the InChIKey of bis(3-methyl-2H-imidazol-1-yl)methanone?
The InChIKey is GFVSGYZTHIWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-10-3-5-12(7-10)9(14)13-6-4-11(2)8-13/h3-6H,7-8H2,1-2H3.
What are the key properties of bis(3-methyl-2H-imidazol-1-yl)methanone?
bis(3-methyl-2H-imidazol-1-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methyl-2H-imidazol-1-yl)methanone is sourced from PubChem (CID 18944350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).