5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride

C8H10ClN3O — CID 110204073

IUPAC5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCc1cc2[nH]c(=O)[nH]c2cc1N.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-4-2-6-7(3-5(4)9)11-8(12)10-6;/h2-3H,9H2,1H3,(H2,10,11,12);1H
InChIKeyARMNIMFAXTXDGV-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.17
Rot. Bonds

About 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride

5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride (PubChem CID 110204073) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
PubChem CID110204073
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCc1cc2[nH]c(=O)[nH]c2cc1N.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-4-2-6-7(3-5(4)9)11-8(12)10-6;/h2-3H,9H2,1H3,(H2,10,11,12);1H
InChIKeyARMNIMFAXTXDGV-UHFFFAOYSA-N
XLogP1.17
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-6-methyl-1,3-dihydrobenzimidazol-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-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride (CID 110204073) is 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride is Cc1cc2[nH]c(=O)[nH]c2cc1N.Cl.
What is the InChIKey of 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The InChIKey is ARMNIMFAXTXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.ClH/c1-4-2-6-7(3-5(4)9)11-8(12)10-6;/h2-3H,9H2,1H3,(H2,10,11,12);1H.
What are the key properties of 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride?
5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 110204073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).