2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide

C26H27N3O3 — CID 17032658

IUPAC2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C26H27N3O3/c1-17-11-18(2)13-20(12-17)27-26(30)16-29-22-8-6-5-7-21(22)28-25(29)15-19-9-10-23(31-3)24(14-19)32-4/h5-14H,15-16H2,1-4H3,(H,27,30)
InChIKeyTZPXQNQKCHMZKJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.90
Rot. Bonds7

About 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide

2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 17032658) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID17032658
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C26H27N3O3/c1-17-11-18(2)13-20(12-17)27-26(30)16-29-22-8-6-5-7-21(22)28-25(29)15-19-9-10-23(31-3)24(14-19)32-4/h5-14H,15-16H2,1-4H3,(H,27,30)
InChIKeyTZPXQNQKCHMZKJ-UHFFFAOYSA-N
XLogP4.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032646
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 3721695
2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51066936
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135650533
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16996037
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(E)-(2-hydroxy-1-methylindol-3-yl)methylideneamino]acetamide
CID 135420696
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(2-hydroxy-1-methylindol-3-yl)methylideneamino]acetamide
CID 1388035
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 135549588

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 17032658) is 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide is COc1ccc(Cc2nc3ccccc3n2CC(=O)Nc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is TZPXQNQKCHMZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-11-18(2)13-20(12-17)27-26(30)16-29-22-8-6-5-7-21(22)28-25(29)15-19-9-10-23(31-3)24(14-19)32-4/h5-14H,15-16H2,1-4H3,(H,27,30).
What are the key properties of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 17032658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).