2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine

C14H21N3O — CID 82144555

IUPAC2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
SMILESCC(C)c1nc2ccccc2n1CCOCCN
InChIInChI=1S/C14H21N3O/c1-11(2)14-16-12-5-3-4-6-13(12)17(14)8-10-18-9-7-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyTWYJKGCXUOPZFS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine

2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine (PubChem CID 82144555) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
PubChem CID82144555
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
SMILESCC(C)c1nc2ccccc2n1CCOCCN
InChIInChI=1S/C14H21N3O/c1-11(2)14-16-12-5-3-4-6-13(12)17(14)8-10-18-9-7-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyTWYJKGCXUOPZFS-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 82150212
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine (CID 82144555) is 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine is CC(C)c1nc2ccccc2n1CCOCCN.
What is the InChIKey of 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The InChIKey is TWYJKGCXUOPZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)14-16-12-5-3-4-6-13(12)17(14)8-10-18-9-7-15/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine?
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 82144555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).