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

C22H25N3O2 — CID 16980437

IUPAC2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-17(2)22(26)23-14-13-21-24-19-11-6-7-12-20(19)25(21)15-8-16-27-18-9-4-3-5-10-18/h3-7,9-12H,1,8,13-16H2,2H3,(H,23,26)
InChIKeyZPZANUUDYLDSFV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.74
Rot. Bonds9

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

2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16980437) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16980437
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-17(2)22(26)23-14-13-21-24-19-11-6-7-12-20(19)25(21)15-8-16-27-18-9-4-3-5-10-18/h3-7,9-12H,1,8,13-16H2,2H3,(H,23,26)
InChIKeyZPZANUUDYLDSFV-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980411
2-methyl-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980464
N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986959
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
2-methyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980409
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980463
N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980430
2-methyl-N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980424
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[3-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986950
2-methyl-N-[5-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16980437) is 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide is C=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is ZPZANUUDYLDSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(2)22(26)23-14-13-21-24-19-11-6-7-12-20(19)25(21)15-8-16-27-18-9-4-3-5-10-18/h3-7,9-12H,1,8,13-16H2,2H3,(H,23,26).
What are the key properties of 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 363.46 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16980437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).