2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide

C21H23N3O2 — CID 16972415

IUPAC2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1nc2ccccc2n1CCOc1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-15(2)21(25)22-14-20-23-18-9-4-5-10-19(18)24(20)11-12-26-17-8-6-7-16(3)13-17/h4-10,13H,1,11-12,14H2,2-3H3,(H,22,25)
InChIKeyNYXYCLYBPZIRPS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.62
Rot. Bonds7

About 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide

2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide (PubChem CID 16972415) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
PubChem CID16972415
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1nc2ccccc2n1CCOc1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-15(2)21(25)22-14-20-23-18-9-4-5-10-19(18)24(20)11-12-26-17-8-6-7-16(3)13-17/h4-10,13H,1,11-12,14H2,2-3H3,(H,22,25)
InChIKeyNYXYCLYBPZIRPS-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980424
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972405
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406
2-methyl-N-[5-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992463
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996
2-methyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980848
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987872
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980411
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
2-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide (CID 16972415) is 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide is C=C(C)C(=O)NCc1nc2ccccc2n1CCOc1cccc(C)c1.
What is the InChIKey of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide?
The InChIKey is NYXYCLYBPZIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)21(25)22-14-20-23-18-9-4-5-10-19(18)24(20)11-12-26-17-8-6-7-16(3)13-17/h4-10,13H,1,11-12,14H2,2-3H3,(H,22,25).
What are the key properties of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide?
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide has a molecular weight of 349.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 16972415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).