3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline

C18H21N3O — CID 82097902

IUPAC3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
SMILESCC(C)c1nc2ccccc2n1CCOc1cccc(N)c1
InChIInChI=1S/C18H21N3O/c1-13(2)18-20-16-8-3-4-9-17(16)21(18)10-11-22-15-7-5-6-14(19)12-15/h3-9,12-13H,10-11,19H2,1-2H3
InChIKeyLJPFUTQDKBUDOJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.82
Rot. Bonds5

About 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline

3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline (PubChem CID 82097902) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
PubChem CID82097902
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
SMILESCC(C)c1nc2ccccc2n1CCOc1cccc(N)c1
InChIInChI=1S/C18H21N3O/c1-13(2)18-20-16-8-3-4-9-17(16)21(18)10-11-22-15-7-5-6-14(19)12-15/h3-9,12-13H,10-11,19H2,1-2H3
InChIKeyLJPFUTQDKBUDOJ-UHFFFAOYSA-N
XLogP3.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline
CID 82097911
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]aniline
CID 94757330
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
1-[4-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996543

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline (CID 82097902) is 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline is CC(C)c1nc2ccccc2n1CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline?
The InChIKey is LJPFUTQDKBUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)18-20-16-8-3-4-9-17(16)21(18)10-11-22-15-7-5-6-14(19)12-15/h3-9,12-13H,10-11,19H2,1-2H3.
What are the key properties of 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline?
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline has a molecular weight of 295.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 82097902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).