2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide

C22H25N3O — CID 16973153

IUPAC2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
SMILESC=C(C)Cn1c(C(C)NC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-15(2)14-25-20-12-8-7-11-19(20)24-22(25)17(4)23-21(26)13-18-10-6-5-9-16(18)3/h5-12,17H,1,13-14H2,2-4H3,(H,23,26)
InChIKeyYMZNEYAQZPMJBQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.34
Rot. Bonds6

About 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide

2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16973153) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16973153
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
SMILESC=C(C)Cn1c(C(C)NC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-15(2)14-25-20-12-8-7-11-19(20)24-22(25)17(4)23-21(26)13-18-10-6-5-9-16(18)3/h5-12,17H,1,13-14H2,2-4H3,(H,23,26)
InChIKeyYMZNEYAQZPMJBQ-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973287
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973188
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973220
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973237
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971556
N-[1-[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973277
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030096
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide (CID 16973153) is 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide is C=C(C)Cn1c(C(C)NC(=O)Cc2ccccc2C)nc2ccccc21.
What is the InChIKey of 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is YMZNEYAQZPMJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(2)14-25-20-12-8-7-11-19(20)24-22(25)17(4)23-21(26)13-18-10-6-5-9-16(18)3/h5-12,17H,1,13-14H2,2-4H3,(H,23,26).
What are the key properties of 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16973153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).