bis(1-methylimidazol-2-yl)methanone

C9H10N4O — CID 4594484

IUPACbis(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1nccn1C
InChIInChI=1S/C9H10N4O/c1-12-5-3-10-8(12)7(14)9-11-4-6-13(9)2/h3-6H,1-2H3
InChIKeyBBDFYGQFWQRHFH-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.38
Rot. Bonds2

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

bis(1-methylimidazol-2-yl)methanone (PubChem CID 4594484) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is bis(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Namebis(1-methylimidazol-2-yl)methanone
PubChem CID4594484
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Namebis(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1nccn1C
InChIInChI=1S/C9H10N4O/c1-12-5-3-10-8(12)7(14)9-11-4-6-13(9)2/h3-6H,1-2H3
InChIKeyBBDFYGQFWQRHFH-UHFFFAOYSA-N
XLogP0.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylimidazol-2-yl)methanone?
The IUPAC name of bis(1-methylimidazol-2-yl)methanone (CID 4594484) is bis(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for bis(1-methylimidazol-2-yl)methanone?
The canonical SMILES for bis(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1nccn1C.
What is the InChIKey of bis(1-methylimidazol-2-yl)methanone?
The InChIKey is BBDFYGQFWQRHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-5-3-10-8(12)7(14)9-11-4-6-13(9)2/h3-6H,1-2H3.
What are the key properties of bis(1-methylimidazol-2-yl)methanone?
bis(1-methylimidazol-2-yl)methanone has a molecular weight of 190.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 4594484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).