N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide

C23H25N3O2 — CID 16980257

IUPACN-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CCc1ccccc1OCCn1c(CCNC(=O)C=C)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-3-9-18-10-5-8-13-21(18)28-17-16-26-20-12-7-6-11-19(20)25-22(26)14-15-24-23(27)4-2/h3-8,10-13H,1-2,9,14-17H2,(H,24,27)
InChIKeyBVKUMXDVRXGSFK-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.69
Rot. Bonds10

About N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide

N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16980257) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16980257
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CCc1ccccc1OCCn1c(CCNC(=O)C=C)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-3-9-18-10-5-8-13-21(18)28-17-16-26-20-12-7-6-11-19(20)25-22(26)14-15-24-23(27)4-2/h3-8,10-13H,1-2,9,14-17H2,(H,24,27)
InChIKeyBVKUMXDVRXGSFK-UHFFFAOYSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987867
N-[2-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974489
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975354
2-phenoxy-N-[2-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978519
(Z)-N-[3-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987104
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
2,2-dimethyl-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988839
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980301
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
3-chloro-N-[2-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978006
3,4,5-trimethoxy-N-[2-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977081
2,4-dimethyl-N-[3-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982560

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16980257) is N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide is C=CCc1ccccc1OCCn1c(CCNC(=O)C=C)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is BVKUMXDVRXGSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-9-18-10-5-8-13-21(18)28-17-16-26-20-12-7-6-11-19(20)25-22(26)14-15-24-23(27)4-2/h3-8,10-13H,1-2,9,14-17H2,(H,24,27).
What are the key properties of N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16980257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).