bis(5-methyl-1H-imidazol-2-yl)methanone

C9H10N4O — CID 22447558

IUPACbis(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)c2ncc(C)[nH]2)[nH]1
InChIInChI=1S/C9H10N4O/c1-5-3-10-8(12-5)7(14)9-11-4-6(2)13-9/h3-4H,1-2H3,(H,10,12)(H,11,13)
InChIKeyRPHNOTDRBMNATD-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.98
Rot. Bonds2

About bis(5-methyl-1H-imidazol-2-yl)methanone

bis(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 22447558) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is bis(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Namebis(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID22447558
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Namebis(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)c2ncc(C)[nH]2)[nH]1
InChIInChI=1S/C9H10N4O/c1-5-3-10-8(12-5)7(14)9-11-4-6(2)13-9/h3-4H,1-2H3,(H,10,12)(H,11,13)
InChIKeyRPHNOTDRBMNATD-UHFFFAOYSA-N
XLogP0.98
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of bis(5-methyl-1H-imidazol-2-yl)methanone (CID 22447558) is bis(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for bis(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for bis(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)c2ncc(C)[nH]2)[nH]1.
What is the InChIKey of bis(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is RPHNOTDRBMNATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-3-10-8(12-5)7(14)9-11-4-6(2)13-9/h3-4H,1-2H3,(H,10,12)(H,11,13).
What are the key properties of bis(5-methyl-1H-imidazol-2-yl)methanone?
bis(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 190.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 22447558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).