ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate

C12H15N3O2 — CID 10376688

IUPACethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(NC)nc2ccccc21
InChIInChI=1S/C12H15N3O2/c1-3-17-11(16)8-15-10-7-5-4-6-9(10)14-12(15)13-2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyPYDNWMZZPMWQAD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.64
Rot. Bonds4

About ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate

ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate (PubChem CID 10376688) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
PubChem CID10376688
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(NC)nc2ccccc21
InChIInChI=1S/C12H15N3O2/c1-3-17-11(16)8-15-10-7-5-4-6-9(10)14-12(15)13-2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyPYDNWMZZPMWQAD-UHFFFAOYSA-N
XLogP1.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(methylamino)benzimidazol-1-yl]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

hexyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 82359428
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
4-[2-(methylamino)benzimidazol-1-yl]butan-2-one
CID 82359502
ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
ethyl 2-[2-[5-(prop-2-enoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16992335
ethyl 2-[2-[1-(pyridine-4-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16965514
ethyl 2-[2-[3-(2-methylprop-2-enoylamino)propyl]benzimidazol-1-yl]acetate
CID 16987010
ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008827

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate (CID 10376688) is ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(NC)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
The InChIKey is PYDNWMZZPMWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-11(16)8-15-10-7-5-4-6-9(10)14-12(15)13-2/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate?
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate has a molecular weight of 233.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate is sourced from PubChem (CID 10376688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).