1-methyl-3-pyridazin-3-ylbenzimidazol-2-one

C12H10N4O — CID 3021489

IUPAC1-methyl-3-pyridazin-3-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cccnn2)c2ccccc21
InChIInChI=1S/C12H10N4O/c1-15-9-5-2-3-6-10(9)16(12(15)17)11-7-4-8-13-14-11/h2-8H,1H3
InChIKeySBNSPEVRIMYHNO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.12
Rot. Bonds1

About 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one

1-methyl-3-pyridazin-3-ylbenzimidazol-2-one (PubChem CID 3021489) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-pyridazin-3-ylbenzimidazol-2-one
PubChem CID3021489
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-methyl-3-pyridazin-3-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cccnn2)c2ccccc21
InChIInChI=1S/C12H10N4O/c1-15-9-5-2-3-6-10(9)16(12(15)17)11-7-4-8-13-14-11/h2-8H,1H3
InChIKeySBNSPEVRIMYHNO-UHFFFAOYSA-N
XLogP1.12
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one?
The IUPAC name of 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one (CID 3021489) is 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one?
The canonical SMILES for 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one is Cn1c(=O)n(-c2cccnn2)c2ccccc21.
What is the InChIKey of 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one?
The InChIKey is SBNSPEVRIMYHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-15-9-5-2-3-6-10(9)16(12(15)17)11-7-4-8-13-14-11/h2-8H,1H3.
What are the key properties of 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one?
1-methyl-3-pyridazin-3-ylbenzimidazol-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridazin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 3021489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).