[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

C19H19N3O3 — CID 2395671

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCc1cccc(C)c1NC(=O)COC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-13-6-5-7-14(2)19(13)21-17(23)11-25-18(24)10-22-12-20-15-8-3-4-9-16(15)22/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyLYAUIKCEQHJHKJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds5

About [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 2395671) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID2395671
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCc1cccc(C)c1NC(=O)COC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-13-6-5-7-14(2)19(13)21-17(23)11-25-18(24)10-22-12-20-15-8-3-4-9-16(15)22/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyLYAUIKCEQHJHKJ-UHFFFAOYSA-N
XLogP2.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(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

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2408717
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3915292
[2-(4-cyanoanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4257908
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3919507
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5035462
methyl 2-[[2-[2-(benzimidazol-1-yl)acetyl]oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2476016
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476273
methyl 2-[[2-[2-(benzimidazol-1-yl)acetyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 2395684
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23911692
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229636
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401180
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33357986

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 2395671) is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is Cc1cccc(C)c1NC(=O)COC(=O)Cn1cnc2ccccc21.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is LYAUIKCEQHJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-6-5-7-14(2)19(13)21-17(23)11-25-18(24)10-22-12-20-15-8-3-4-9-16(15)22/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 337.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 2395671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).