ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium

C20H24N3O+ — CID 7574612

IUPACethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium
SMILESC=C[NH2+]CCc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C20H23N3O/c1-3-21-13-12-20-22-17-9-5-6-10-18(17)23(20)14-15-24-19-11-7-4-8-16(19)2/h3-11,21H,1,12-15H2,2H3/p+1
InChIKeyYBUKWDOKFSYUAO-UHFFFAOYSA-O
MW322.43 g/mol
LogP2.67
Rot. Bonds8

About ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium

ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium (PubChem CID 7574612) has the molecular formula C20H24N3O+ and a molecular weight of 322.43 g/mol. Its IUPAC name is ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium.

Molecular Properties

Compound Nameethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium
PubChem CID7574612
Molecular FormulaC20H24N3O+
Molecular Weight322.43 g/mol
Exact Mass322.19
IUPAC Nameethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium
SMILESC=C[NH2+]CCc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C20H23N3O/c1-3-21-13-12-20-22-17-9-5-6-10-18(17)23(20)14-15-24-19-11-7-4-8-16(19)2/h3-11,21H,1,12-15H2,2H3/p+1
InChIKeyYBUKWDOKFSYUAO-UHFFFAOYSA-O
XLogP2.67
TPSA43.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-[3-(azepan-1-yl)propyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18885649
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18878269
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride
CID 22696615
N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978268
3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 16995480
1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
CID 16999468

Frequently Asked Questions

What is the IUPAC name of ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium?
The IUPAC name of ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium (CID 7574612) is ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium.
What is the SMILES notation for ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium?
The canonical SMILES for ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium is C=C[NH2+]CCc1nc2ccccc2n1CCOc1ccccc1C.
What is the InChIKey of ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium?
The InChIKey is YBUKWDOKFSYUAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O/c1-3-21-13-12-20-22-17-9-5-6-10-18(17)23(20)14-15-24-19-11-7-4-8-16(19)2/h3-11,21H,1,12-15H2,2H3/p+1.
What are the key properties of ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium?
ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium has a molecular weight of 322.43 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium is sourced from PubChem (CID 7574612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).