3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one

C10H9N3O — CID 645809

IUPAC3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one
SMILESCN1C(=O)Cn2c1nc1ccccc12
InChIInChI=1S/C10H9N3O/c1-12-9(14)6-13-8-5-3-2-4-7(8)11-10(12)13/h2-5H,6H2,1H3
InChIKeySZWWWBLNECQBJF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.01
Rot. Bonds

About 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one

3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one (PubChem CID 645809) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one
PubChem CID645809
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one
SMILESCN1C(=O)Cn2c1nc1ccccc12
InChIInChI=1S/C10H9N3O/c1-12-9(14)6-13-8-5-3-2-4-7(8)11-10(12)13/h2-5H,6H2,1H3
InChIKeySZWWWBLNECQBJF-UHFFFAOYSA-N
XLogP1.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one?
The IUPAC name of 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one (CID 645809) is 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one.
What is the SMILES notation for 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one?
The canonical SMILES for 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one is CN1C(=O)Cn2c1nc1ccccc12.
What is the InChIKey of 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one?
The InChIKey is SZWWWBLNECQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-12-9(14)6-13-8-5-3-2-4-7(8)11-10(12)13/h2-5H,6H2,1H3.
What are the key properties of 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one?
3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-imidazo[1,2-a]benzimidazol-2-one is sourced from PubChem (CID 645809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).