1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one

C10H10N4O — CID 3439803

IUPAC1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc3[nH]cnc3cc21
InChIInChI=1S/C10H10N4O/c1-13-8-3-6-7(12-5-11-6)4-9(8)14(2)10(13)15/h3-5H,1-2H3,(H,11,12)
InChIKeyQUEXVBNPLGCNGI-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.75
Rot. Bonds

About 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one

1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one (PubChem CID 3439803) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one
PubChem CID3439803
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc3[nH]cnc3cc21
InChIInChI=1S/C10H10N4O/c1-13-8-3-6-7(12-5-11-6)4-9(8)14(2)10(13)15/h3-5H,1-2H3,(H,11,12)
InChIKeyQUEXVBNPLGCNGI-UHFFFAOYSA-N
XLogP0.75
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one (CID 3439803) is 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one is Cn1c(=O)n(C)c2cc3[nH]cnc3cc21.
What is the InChIKey of 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
The InChIKey is QUEXVBNPLGCNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-13-8-3-6-7(12-5-11-6)4-9(8)14(2)10(13)15/h3-5H,1-2H3,(H,11,12).
What are the key properties of 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one has a molecular weight of 202.22 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5H-imidazo[4,5-f]benzimidazol-2-one is sourced from PubChem (CID 3439803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).