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

C21H23N3O2 — CID 16971716

IUPACN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESC=C(C)Cn1c(C(C)NC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-15(2)13-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)14-26-17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3,(H,22,25)
InChIKeyUOOPQYUYCHIQEH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.87
Rot. Bonds7

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

N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16971716) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID16971716
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESC=C(C)Cn1c(C(C)NC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-15(2)13-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)14-26-17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3,(H,22,25)
InChIKeyUOOPQYUYCHIQEH-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971721
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971773
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971779
N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971767
2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16972001
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807
2-phenoxy-N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971762
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 4753702

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16971716) is N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is C=C(C)Cn1c(C(C)NC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is UOOPQYUYCHIQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)13-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)14-26-17-9-5-4-6-10-17/h4-12,16H,1,13-14H2,2-3H3,(H,22,25).
What are the key properties of N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 349.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16971716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).