2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

C25H25N3O3 — CID 17033004

IUPAC2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O3/c1-17(18-9-5-4-6-10-18)26-24(29)16-28-21-12-8-7-11-20(21)27-25(28)19-13-14-22(30-2)23(15-19)31-3/h4-15,17H,16H2,1-3H3,(H,26,29)
InChIKeyINKXYZKJAQNANV-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.60
Rot. Bonds7

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

2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 17033004) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID17033004
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O3/c1-17(18-9-5-4-6-10-18)26-24(29)16-28-21-12-8-7-11-20(21)27-25(28)19-13-14-22(30-2)23(15-19)31-3/h4-15,17H,16H2,1-3H3,(H,26,29)
InChIKeyINKXYZKJAQNANV-UHFFFAOYSA-N
XLogP4.60
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032986
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 167845747
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55797774
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (CID 17033004) is 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is COc1ccc(-c2nc3ccccc3n2CC(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is INKXYZKJAQNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(18-9-5-4-6-10-18)26-24(29)16-28-21-12-8-7-11-20(21)27-25(28)19-13-14-22(30-2)23(15-19)31-3/h4-15,17H,16H2,1-3H3,(H,26,29).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.60, 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)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 17033004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).