[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate

C22H26N4O3 — CID 2422588

IUPAC[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
SMILESCCN(CC)c1ccc(NC(=O)COC(=O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C22H26N4O3/c1-4-25(5-2)18-12-10-17(11-13-18)24-21(27)15-29-22(28)14-26-16(3)23-19-8-6-7-9-20(19)26/h6-13H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyALWFCCRIGLQGAR-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.37
Rot. Bonds8

About [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate

[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate (PubChem CID 2422588) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
PubChem CID2422588
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
SMILESCCN(CC)c1ccc(NC(=O)COC(=O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C22H26N4O3/c1-4-25(5-2)18-12-10-17(11-13-18)24-21(27)15-29-22(28)14-26-16(3)23-19-8-6-7-9-20(19)26/h6-13H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyALWFCCRIGLQGAR-UHFFFAOYSA-N
XLogP3.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 40540953
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 23967917
[2-(2-nitroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 3929351
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 23828156
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29242867
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 16543456
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 30252486
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate
CID 4798785
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate (CID 2422588) is [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate is CCN(CC)c1ccc(NC(=O)COC(=O)Cn2c(C)nc3ccccc32)cc1.
What is the InChIKey of [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The InChIKey is ALWFCCRIGLQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-25(5-2)18-12-10-17(11-13-18)24-21(27)15-29-22(28)14-26-16(3)23-19-8-6-7-9-20(19)26/h6-13H,4-5,14-15H2,1-3H3,(H,24,27).
What are the key properties of [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate has a molecular weight of 394.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 2422588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).