[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate

C27H27N3O4 — CID 55384666

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OC(C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C27H27N3O4/c1-4-24-28-20-12-8-9-13-22(20)30(24)17-25(31)34-26(19-10-6-5-7-11-19)27(32)29-21-16-18(2)14-15-23(21)33-3/h5-16,26H,4,17H2,1-3H3,(H,29,32)
InChIKeyUXTOYYLANYQMJZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.84
Rot. Bonds8

About [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate (PubChem CID 55384666) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
PubChem CID55384666
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OC(C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C27H27N3O4/c1-4-24-28-20-12-8-9-13-22(20)30(24)17-25(31)34-26(19-10-6-5-7-11-19)27(32)29-21-16-18(2)14-15-23(21)33-3/h5-16,26H,4,17H2,1-3H3,(H,29,32)
InChIKeyUXTOYYLANYQMJZ-UHFFFAOYSA-N
XLogP4.84
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate with MolForge

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate
CID 18276877
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 16505776
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 30252486
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate (CID 55384666) is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate is CCc1nc2ccccc2n1CC(=O)OC(C(=O)Nc1cc(C)ccc1OC)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The InChIKey is UXTOYYLANYQMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-4-24-28-20-12-8-9-13-22(20)30(24)17-25(31)34-26(19-10-6-5-7-11-19)27(32)29-21-16-18(2)14-15-23(21)33-3/h5-16,26H,4,17H2,1-3H3,(H,29,32).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate has a molecular weight of 457.53 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 55384666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).