methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate

C12H15N3O2 — CID 115552359

IUPACmethyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1c(N)nc2cccc(C)c21
InChIInChI=1S/C12H15N3O2/c1-7-5-4-6-9-10(7)15(12(13)14-9)8(2)11(16)17-3/h4-6,8H,1-3H3,(H2,13,14)
InChIKeyPACRAVIFUHITKS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.66
Rot. Bonds2

About methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate

methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate (PubChem CID 115552359) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
PubChem CID115552359
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1c(N)nc2cccc(C)c21
InChIInChI=1S/C12H15N3O2/c1-7-5-4-6-9-10(7)15(12(13)14-9)8(2)11(16)17-3/h4-6,8H,1-3H3,(H2,13,14)
InChIKeyPACRAVIFUHITKS-UHFFFAOYSA-N
XLogP1.66
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate 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 2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]propanoate
CID 115553192
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
2-ethyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933093
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 113333995
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552367
methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate
CID 92670417
2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933092
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
CID 115552403
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
methyl 2-amino-3-(cyclobutadienyl)benzimidazole-4-carboxylate
CID 118938344

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate?
The IUPAC name of methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate (CID 115552359) is methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate is COC(=O)C(C)n1c(N)nc2cccc(C)c21.
What is the InChIKey of methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate?
The InChIKey is PACRAVIFUHITKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-5-4-6-9-10(7)15(12(13)14-9)8(2)11(16)17-3/h4-6,8H,1-3H3,(H2,13,14).
What are the key properties of methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate?
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate has a molecular weight of 233.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate is sourced from PubChem (CID 115552359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).