1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine

C15H21N3O — CID 82334728

IUPAC1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(C(C)N)nc2cc(OCC)ccc21
InChIInChI=1S/C15H21N3O/c1-5-19-12-6-7-14-13(8-12)17-15(11(4)16)18(14)9-10(2)3/h6-8,11H,2,5,9,16H2,1,3-4H3
InChIKeyFIPXCCLXQJTLSL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine

1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine (PubChem CID 82334728) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
PubChem CID82334728
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(C(C)N)nc2cc(OCC)ccc21
InChIInChI=1S/C15H21N3O/c1-5-19-12-6-7-14-13(8-12)17-15(11(4)16)18(14)9-10(2)3/h6-8,11H,2,5,9,16H2,1,3-4H3
InChIKeyFIPXCCLXQJTLSL-UHFFFAOYSA-N
XLogP3.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82332995
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335031
1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
2-(chloromethyl)-1-(2-methylprop-2-enyl)-5-propan-2-yloxybenzimidazole
CID 82335383
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82334348
5-ethoxy-1-ethylbenzimidazole-2-sulfonic acid
CID 25239345
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 16999069
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine (CID 82334728) is 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine is C=C(C)Cn1c(C(C)N)nc2cc(OCC)ccc21.
What is the InChIKey of 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
The InChIKey is FIPXCCLXQJTLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-19-12-6-7-14-13(8-12)17-15(11(4)16)18(14)9-10(2)3/h6-8,11H,2,5,9,16H2,1,3-4H3.
What are the key properties of 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82334728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).