N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide

C25H23N3O — CID 6109696

IUPACN-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1C
InChIInChI=1S/C25H23N3O/c1-18-12-14-21(16-19(18)2)26-25(29)17-28-23-11-7-6-10-22(23)27-24(28)15-13-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,26,29)/b15-13+
InChIKeyTWJADTBBWGZIDY-FYWRMAATSA-N
MW381.48 g/mol
LogP5.46
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide (PubChem CID 6109696) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
PubChem CID6109696
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1C
InChIInChI=1S/C25H23N3O/c1-18-12-14-21(16-19(18)2)26-25(29)17-28-23-11-7-6-10-22(23)27-24(28)15-13-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,26,29)/b15-13+
InChIKeyTWJADTBBWGZIDY-FYWRMAATSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide (CID 6109696) is N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The InChIKey is TWJADTBBWGZIDY-FYWRMAATSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-12-14-21(16-19(18)2)26-25(29)17-28-23-11-7-6-10-22(23)27-24(28)15-13-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,26,29)/b15-13+.
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 6109696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).