5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride

C8H10ClN3O — CID 91662830

IUPAC5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2ccc(N)cc21
InChIInChI=1S/C8H9N3O.ClH/c1-11-7-4-5(9)2-3-6(7)10-8(11)12;/h2-4H,9H2,1H3,(H,10,12);1H
InChIKeyNBDLIGCYOJQSSG-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.87
Rot. Bonds

About 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride

5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 91662830) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride
PubChem CID91662830
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2ccc(N)cc21
InChIInChI=1S/C8H9N3O.ClH/c1-11-7-4-5(9)2-3-6(7)10-8(11)12;/h2-4H,9H2,1H3,(H,10,12);1H
InChIKeyNBDLIGCYOJQSSG-UHFFFAOYSA-N
XLogP0.87
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride 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 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride (CID 91662830) is 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride is Cl.Cn1c(=O)[nH]c2ccc(N)cc21.
What is the InChIKey of 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is NBDLIGCYOJQSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.ClH/c1-11-7-4-5(9)2-3-6(7)10-8(11)12;/h2-4H,9H2,1H3,(H,10,12);1H.
What are the key properties of 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride?
5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 91662830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).