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

C17H23N3O — CID 955340

IUPAC2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide
SMILESC=C(C)Cn1c(CCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)11-20-15-8-6-5-7-14(15)19-16(20)9-10-18-17(21)13(3)4/h5-8,13H,1,9-11H2,2-4H3,(H,18,21)
InChIKeyXPJWRZBIZQIYKQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.93
Rot. Bonds6

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

2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 955340) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID955340
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide
SMILESC=C(C)Cn1c(CCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)11-20-15-8-6-5-7-14(15)19-16(20)9-10-18-17(21)13(3)4/h5-8,13H,1,9-11H2,2-4H3,(H,18,21)
InChIKeyXPJWRZBIZQIYKQ-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide (CID 955340) is 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide is C=C(C)Cn1c(CCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is XPJWRZBIZQIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)11-20-15-8-6-5-7-14(15)19-16(20)9-10-18-17(21)13(3)4/h5-8,13H,1,9-11H2,2-4H3,(H,18,21).
What are the key properties of 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide?
2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 955340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).