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

C19H19N3O2 — CID 16972240

IUPACN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-19(23)20-14-18-21-16-10-6-7-11-17(16)22(18)12-13-24-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,20,23)
InChIKeyCQGAYOHBCBAJRS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.92
Rot. Bonds7

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

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide (PubChem CID 16972240) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
PubChem CID16972240
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-19(23)20-14-18-21-16-10-6-7-11-17(16)22(18)12-13-24-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,20,23)
InChIKeyCQGAYOHBCBAJRS-UHFFFAOYSA-N
XLogP2.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.92
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

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972317
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972275
N-[[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972304
N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986766
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972208
N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972273
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
CID 17006257
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide (CID 16972240) is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide is C=CC(=O)NCc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The InChIKey is CQGAYOHBCBAJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-19(23)20-14-18-21-16-10-6-7-11-17(16)22(18)12-13-24-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,20,23).
What are the key properties of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 16972240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).