2-(2-ethylbutoxy)-3H-benzimidazol-5-amine

C13H19N3O — CID 114208249

IUPAC2-(2-ethylbutoxy)-3H-benzimidazol-5-amine
SMILESCCC(CC)COc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-3-9(4-2)8-17-13-15-11-6-5-10(14)7-12(11)16-13/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeySOLAGKQOXXTYLJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine

2-(2-ethylbutoxy)-3H-benzimidazol-5-amine (PubChem CID 114208249) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-ethylbutoxy)-3H-benzimidazol-5-amine
PubChem CID114208249
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2-ethylbutoxy)-3H-benzimidazol-5-amine
SMILESCCC(CC)COc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-3-9(4-2)8-17-13-15-11-6-5-10(14)7-12(11)16-13/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeySOLAGKQOXXTYLJ-UHFFFAOYSA-N
XLogP2.96
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine
CID 103176854
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3H-benzimidazol-5-amine
CID 102721658
2-heptan-3-yl-3H-benzimidazol-5-amine
CID 43125587
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
1-(1H-benzimidazol-2-yloxy)butane-2-thiol
CID 87069794
2-(2-methylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 62105341
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine
CID 116792483
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine (CID 114208249) is 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine is CCC(CC)COc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine?
The InChIKey is SOLAGKQOXXTYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-9(4-2)8-17-13-15-11-6-5-10(14)7-12(11)16-13/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine?
2-(2-ethylbutoxy)-3H-benzimidazol-5-amine has a molecular weight of 233.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)-3H-benzimidazol-5-amine is sourced from PubChem (CID 114208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).