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

C25H23N3O — CID 17031753

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

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

N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide (PubChem CID 17031753) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
PubChem CID17031753
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H23N3O/c1-18-12-14-21(19(2)16-18)27-25(29)17-28-23-11-7-6-10-22(23)26-24(28)15-13-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,27,29)/b15-13+
InChIKeyMJRQVONFAYVRGM-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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Related Compounds

N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 5084870
N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
N-cyclopropyl-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031733
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17031747
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
N-cyclopentyl-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 71899062
N-(2,4-dimethylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3224679
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17032131
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960
N-(2,4-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802610

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide (CID 17031753) is N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
The InChIKey is MJRQVONFAYVRGM-FYWRMAATSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-12-14-21(19(2)16-18)27-25(29)17-28-23-11-7-6-10-22(23)26-24(28)15-13-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,27,29)/b15-13+.
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide?
N-(2,4-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-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17031753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).