2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide

C28H30N4O4 — CID 16972964

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1OC
InChIInChI=1S/C28H30N4O4/c1-19(29-26(33)17-20-14-15-24(35-3)25(16-20)36-4)28-30-22-12-8-9-13-23(22)32(28)18-27(34)31(2)21-10-6-5-7-11-21/h5-16,19H,17-18H2,1-4H3,(H,29,33)
InChIKeyODKRAALTBFCOJH-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.14
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16972964) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16972964
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1OC
InChIInChI=1S/C28H30N4O4/c1-19(29-26(33)17-20-14-15-24(35-3)25(16-20)36-4)28-30-22-12-8-9-13-23(22)32(28)18-27(34)31(2)21-10-6-5-7-11-21/h5-16,19H,17-18H2,1-4H3,(H,29,33)
InChIKeyODKRAALTBFCOJH-UHFFFAOYSA-N
XLogP4.14
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972963
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16972830
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16969289
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972885
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972884
2-(3,4-dimethoxyphenyl)-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994266
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972820
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972903
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972911
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972907
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971693

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16972964) is 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide is COc1ccc(CC(=O)NC(C)c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is ODKRAALTBFCOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-19(29-26(33)17-20-14-15-24(35-3)25(16-20)36-4)28-30-22-12-8-9-13-23(22)32(28)18-27(34)31(2)21-10-6-5-7-11-21/h5-16,19H,17-18H2,1-4H3,(H,29,33).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16972964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).