methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate

C12H15N3O2 — CID 115232706

IUPACmethyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
SMILESCOC(=O)CNc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C12H15N3O2/c1-8-14-10-6-9(13-7-12(16)17-3)4-5-11(10)15(8)2/h4-6,13H,7H2,1-3H3
InChIKeyCKLIHCDIDRGWLQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate

methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate (PubChem CID 115232706) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
PubChem CID115232706
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
SMILESCOC(=O)CNc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C12H15N3O2/c1-8-14-10-6-9(13-7-12(16)17-3)4-5-11(10)15(8)2/h4-6,13H,7H2,1-3H3
InChIKeyCKLIHCDIDRGWLQ-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate 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

1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
3-[(1,2-dimethylbenzimidazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 115136437
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
CID 115128288
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
3-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-1-ol
CID 115216675
methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
CID 96675259
methyl 2-[(1-methylindol-5-yl)amino]acetate
CID 82539684
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol
CID 115246752
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate (CID 115232706) is methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate is COC(=O)CNc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate?
The InChIKey is CKLIHCDIDRGWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-14-10-6-9(13-7-12(16)17-3)4-5-11(10)15(8)2/h4-6,13H,7H2,1-3H3.
What are the key properties of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate?
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate has a molecular weight of 233.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate is sourced from PubChem (CID 115232706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).