N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide

C19H19N3O — CID 16972212

IUPACN-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-3-19(23)20-13-18-21-16-11-7-8-12-17(16)22(18)14(2)15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,20,23)
InChIKeyFGOOSWGBMWUJFD-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.45
Rot. Bonds5

About N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide

N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide (PubChem CID 16972212) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
PubChem CID16972212
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-3-19(23)20-13-18-21-16-11-7-8-12-17(16)22(18)14(2)15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,20,23)
InChIKeyFGOOSWGBMWUJFD-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970769
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972208
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972240
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979897
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975581

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide (CID 16972212) is N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide is C=CC(=O)NCc1nc2ccccc2n1C(C)c1ccccc1.
What is the InChIKey of N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The InChIKey is FGOOSWGBMWUJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-19(23)20-13-18-21-16-11-7-8-12-17(16)22(18)14(2)15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,20,23).
What are the key properties of N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide has a molecular weight of 305.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 16972212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).