[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol

C13H19N3O2 — CID 62589251

IUPAC[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
SMILESCCOCCCn1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O2/c1-2-18-7-3-6-16-12-5-4-10(14)8-11(12)15-13(16)9-17/h4-5,8,17H,2-3,6-7,9,14H2,1H3
InChIKeySXPDJQSALBRBFF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.54
Rot. Bonds6

About [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol

[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol (PubChem CID 62589251) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
PubChem CID62589251
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
SMILESCCOCCCn1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O2/c1-2-18-7-3-6-16-12-5-4-10(14)8-11(12)15-13(16)9-17/h4-5,8,17H,2-3,6-7,9,14H2,1H3
InChIKeySXPDJQSALBRBFF-UHFFFAOYSA-N
XLogP1.54
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol (CID 62589251) is [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol is CCOCCCn1c(CO)nc2cc(N)ccc21.
What is the InChIKey of [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol?
The InChIKey is SXPDJQSALBRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-7-3-6-16-12-5-4-10(14)8-11(12)15-13(16)9-17/h4-5,8,17H,2-3,6-7,9,14H2,1H3.
What are the key properties of [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol?
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol has a molecular weight of 249.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 62589251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).