methyl 6-amino-1-methylbenzimidazole-5-carboxylate

C10H11N3O2 — CID 131279074

IUPACmethyl 6-amino-1-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2ncn(C)c2cc1N
InChIInChI=1S/C10H11N3O2/c1-13-5-12-8-3-6(10(14)15-2)7(11)4-9(8)13/h3-5H,11H2,1-2H3
InChIKeyLWLXGEBIMWKNPG-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.94
Rot. Bonds1

About methyl 6-amino-1-methylbenzimidazole-5-carboxylate

methyl 6-amino-1-methylbenzimidazole-5-carboxylate (PubChem CID 131279074) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 6-amino-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-1-methylbenzimidazole-5-carboxylate
PubChem CID131279074
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 6-amino-1-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2ncn(C)c2cc1N
InChIInChI=1S/C10H11N3O2/c1-13-5-12-8-3-6(10(14)15-2)7(11)4-9(8)13/h3-5H,11H2,1-2H3
InChIKeyLWLXGEBIMWKNPG-UHFFFAOYSA-N
XLogP0.94
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-amino-1-methylbenzimidazole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 1,6-dimethylbenzimidazole-5-carboxylate
CID 121006340
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
1-O-methyl 2-O-(1-methylbenzimidazol-5-yl) benzene-1,2-dicarboxylate
CID 90538186
6-chloro-1-methylbenzimidazole-5-carboxamide
CID 112756940
methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
6-amino-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 84724481
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate
CID 156788042
methyl 6-amino-2-chloro-1,3-benzothiazole-5-carboxylate
CID 84728269

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-1-methylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 6-amino-1-methylbenzimidazole-5-carboxylate (CID 131279074) is methyl 6-amino-1-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 6-amino-1-methylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 6-amino-1-methylbenzimidazole-5-carboxylate is COC(=O)c1cc2ncn(C)c2cc1N.
What is the InChIKey of methyl 6-amino-1-methylbenzimidazole-5-carboxylate?
The InChIKey is LWLXGEBIMWKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-5-12-8-3-6(10(14)15-2)7(11)4-9(8)13/h3-5H,11H2,1-2H3.
What are the key properties of methyl 6-amino-1-methylbenzimidazole-5-carboxylate?
methyl 6-amino-1-methylbenzimidazole-5-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 131279074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).