methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate

C19H19N3O4 — CID 21008986

IUPACmethyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O4/c1-25-19(24)13-6-2-5-9-16(13)26-12-18(23)20-11-10-17-21-14-7-3-4-8-15(14)22-17/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyPKLPJSMGINQEBY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.09
Rot. Bonds7

About methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate

methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate (PubChem CID 21008986) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
PubChem CID21008986
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O4/c1-25-19(24)13-6-2-5-9-16(13)26-12-18(23)20-11-10-17-21-14-7-3-4-8-15(14)22-17/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyPKLPJSMGINQEBY-UHFFFAOYSA-N
XLogP2.09
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate 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

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500313
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(dihydroxyamino)phenoxy]acetamide
CID 59264890
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide
CID 21008977
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trifluorophenoxy)acetamide
CID 59018354
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate (CID 21008986) is methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate?
The InChIKey is PKLPJSMGINQEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-19(24)13-6-2-5-9-16(13)26-12-18(23)20-11-10-17-21-14-7-3-4-8-15(14)22-17/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate?
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate has a molecular weight of 353.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 21008986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).