N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine

C22H23N3O — CID 143309614

IUPACN-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine
SMILESC=C/N=C(\C=C)COCc1cccc(-n2cnc3cc(CC)ccc32)c1
InChIInChI=1S/C22H23N3O/c1-4-17-10-11-22-21(13-17)24-16-25(22)20-9-7-8-18(12-20)14-26-15-19(5-2)23-6-3/h5-13,16H,2-4,14-15H2,1H3/b23-19+
InChIKeyLVRLSAFXBQBQAT-FCDQGJHFSA-N
MW345.45 g/mol
LogP4.88
Rot. Bonds8

About N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine

N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine (PubChem CID 143309614) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine.

Molecular Properties

Compound NameN-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine
PubChem CID143309614
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine
SMILESC=C/N=C(\C=C)COCc1cccc(-n2cnc3cc(CC)ccc32)c1
InChIInChI=1S/C22H23N3O/c1-4-17-10-11-22-21(13-17)24-16-25(22)20-9-7-8-18(12-20)14-26-15-19(5-2)23-6-3/h5-13,16H,2-4,14-15H2,1H3/b23-19+
InChIKeyLVRLSAFXBQBQAT-FCDQGJHFSA-N
XLogP4.88
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine?
The IUPAC name of N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine (CID 143309614) is N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine.
What is the SMILES notation for N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine?
The canonical SMILES for N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine is C=C/N=C(\C=C)COCc1cccc(-n2cnc3cc(CC)ccc32)c1.
What is the InChIKey of N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine?
The InChIKey is LVRLSAFXBQBQAT-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-17-10-11-22-21(13-17)24-16-25(22)20-9-7-8-18(12-20)14-26-15-19(5-2)23-6-3/h5-13,16H,2-4,14-15H2,1H3/b23-19+.
What are the key properties of N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine?
N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine has a molecular weight of 345.45 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine is sourced from PubChem (CID 143309614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).