bis(2-methylimidazol-1-yl)methanone

C9H10N4O — CID 719806

IUPACbis(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)n1ccnc1C
InChIInChI=1S/C9H10N4O/c1-7-10-3-5-12(7)9(14)13-6-4-11-8(13)2/h3-6H,1-2H3
InChIKeyXMFCLBUQBWFZBP-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.21
Rot. Bonds

About bis(2-methylimidazol-1-yl)methanone

bis(2-methylimidazol-1-yl)methanone (PubChem CID 719806) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is bis(2-methylimidazol-1-yl)methanone.

Molecular Properties

Compound Namebis(2-methylimidazol-1-yl)methanone
PubChem CID719806
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Namebis(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)n1ccnc1C
InChIInChI=1S/C9H10N4O/c1-7-10-3-5-12(7)9(14)13-6-4-11-8(13)2/h3-6H,1-2H3
InChIKeyXMFCLBUQBWFZBP-UHFFFAOYSA-N
XLogP1.21
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylimidazol-1-yl)methanone?
The IUPAC name of bis(2-methylimidazol-1-yl)methanone (CID 719806) is bis(2-methylimidazol-1-yl)methanone.
What is the SMILES notation for bis(2-methylimidazol-1-yl)methanone?
The canonical SMILES for bis(2-methylimidazol-1-yl)methanone is Cc1nccn1C(=O)n1ccnc1C.
What is the InChIKey of bis(2-methylimidazol-1-yl)methanone?
The InChIKey is XMFCLBUQBWFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-10-3-5-12(7)9(14)13-6-4-11-8(13)2/h3-6H,1-2H3.
What are the key properties of bis(2-methylimidazol-1-yl)methanone?
bis(2-methylimidazol-1-yl)methanone has a molecular weight of 190.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylimidazol-1-yl)methanone is sourced from PubChem (CID 719806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).