2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C23H29N3O2 — CID 16969177

IUPAC2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C23H29N3O2/c1-14-11-15(2)17(4)19(16(14)3)12-26-21-10-8-7-9-20(21)25-23(26)18(5)24-22(27)13-28-6/h7-11,18H,12-13H2,1-6H3,(H,24,27)
InChIKeyAJOHELDCONESFN-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.14
Rot. Bonds6

About 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16969177) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16969177
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C23H29N3O2/c1-14-11-15(2)17(4)19(16(14)3)12-26-21-10-8-7-9-20(21)25-23(26)18(5)24-22(27)13-28-6/h7-11,18H,12-13H2,1-6H3,(H,24,27)
InChIKeyAJOHELDCONESFN-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969327
N-[(1S)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 7025717
2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969160
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
N-[(1R)-1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 34958984
2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972690
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
N-(3,4-dimethylphenyl)-2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetamide
CID 17030051
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969257

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16969177) is 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is COCC(=O)NC(C)c1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is AJOHELDCONESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-14-11-15(2)17(4)19(16(14)3)12-26-21-10-8-7-9-20(21)25-23(26)18(5)24-22(27)13-28-6/h7-11,18H,12-13H2,1-6H3,(H,24,27).
What are the key properties of 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16969177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).