2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide

C37H50N6O6 — CID 24963331

IUPAC2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
SMILESCCN(CCCN(CC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C37H50N6O6/c1-11-40(30(44)22-42-28-20-24(48-9)14-16-26(28)38-34(42)32(46)36(3,4)5)18-13-19-41(12-2)31(45)23-43-29-21-25(49-10)15-17-27(29)39-35(43)33(47)37(6,7)8/h14-17,20-21H,11-13,18-19,22-23H2,1-10H3
InChIKeyXGHKDCQCWGVOPL-UHFFFAOYSA-N
MW674.84 g/mol
LogP5.65
Rot. Bonds14

About 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide

2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide (PubChem CID 24963331) has the molecular formula C37H50N6O6 and a molecular weight of 674.84 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
PubChem CID24963331
Molecular FormulaC37H50N6O6
Molecular Weight674.84 g/mol
Exact Mass674.38
IUPAC Name2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
SMILESCCN(CCCN(CC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C37H50N6O6/c1-11-40(30(44)22-42-28-20-24(48-9)14-16-26(28)38-34(42)32(46)36(3,4)5)18-13-19-41(12-2)31(45)23-43-29-21-25(49-10)15-17-27(29)39-35(43)33(47)37(6,7)8/h14-17,20-21H,11-13,18-19,22-23H2,1-10H3
InChIKeyXGHKDCQCWGVOPL-UHFFFAOYSA-N
XLogP5.65
TPSA128.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.84
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide with MolForge

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Related Compounds

2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
CID 11281617
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
CID 68999731
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 68997311
N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
CID 11696301
N,N-dibutyl-2-[6-(2,2-dimethylpropanoyl)-3-methoxyimidazo[4,5-c]pyridazin-5-yl]acetamide
CID 11223407
N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide
CID 11740930
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
CID 155143022
N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide
CID 24782579
1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
CID 142985780
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 155142993
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
CID 68999797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide?
The IUPAC name of 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide (CID 24963331) is 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide is CCN(CCCN(CC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide?
The InChIKey is XGHKDCQCWGVOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N6O6/c1-11-40(30(44)22-42-28-20-24(48-9)14-16-26(28)38-34(42)32(46)36(3,4)5)18-13-19-41(12-2)31(45)23-43-29-21-25(49-10)15-17-27(29)39-35(43)33(47)37(6,7)8/h14-17,20-21H,11-13,18-19,22-23H2,1-10H3.
What are the key properties of 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide?
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide has a molecular weight of 674.84 g/mol, XLogP of 5.65, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide is sourced from PubChem (CID 24963331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).