1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol

C13H19N3O — CID 62589068

IUPAC1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
SMILESCCC(C)n1c(C(C)O)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-4-8(2)16-12-6-5-10(14)7-11(12)15-13(16)9(3)17/h5-9,17H,4,14H2,1-3H3
InChIKeyWXCMDQMSAQOTDM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.64
Rot. Bonds3

About 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol

1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol (PubChem CID 62589068) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
PubChem CID62589068
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
SMILESCCC(C)n1c(C(C)O)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-4-8(2)16-12-6-5-10(14)7-11(12)15-13(16)9(3)17/h5-9,17H,4,14H2,1-3H3
InChIKeyWXCMDQMSAQOTDM-UHFFFAOYSA-N
XLogP2.64
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol (CID 62589068) is 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol is CCC(C)n1c(C(C)O)nc2cc(N)ccc21.
What is the InChIKey of 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol?
The InChIKey is WXCMDQMSAQOTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-8(2)16-12-6-5-10(14)7-11(12)15-13(16)9(3)17/h5-9,17H,4,14H2,1-3H3.
What are the key properties of 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol?
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 62589068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).