3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol

C13H19N3O2 — CID 43822520

IUPAC3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
SMILESNc1ccc2c(c1)nc(CCCO)n2CCCO
InChIInChI=1S/C13H19N3O2/c14-10-4-5-12-11(9-10)15-13(3-1-7-17)16(12)6-2-8-18/h4-5,9,17-18H,1-3,6-8,14H2
InChIKeyZQAQXUJPVQZJIN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.93
Rot. Bonds6

About 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol

3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 43822520) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
PubChem CID43822520
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
SMILESNc1ccc2c(c1)nc(CCCO)n2CCCO
InChIInChI=1S/C13H19N3O2/c14-10-4-5-12-11(9-10)15-13(3-1-7-17)16(12)6-2-8-18/h4-5,9,17-18H,1-3,6-8,14H2
InChIKeyZQAQXUJPVQZJIN-UHFFFAOYSA-N
XLogP0.93
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol
CID 43912233
3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
CID 43912232
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol (CID 43822520) is 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol is Nc1ccc2c(c1)nc(CCCO)n2CCCO.
What is the InChIKey of 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is ZQAQXUJPVQZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-4-5-12-11(9-10)15-13(3-1-7-17)16(12)6-2-8-18/h4-5,9,17-18H,1-3,6-8,14H2.
What are the key properties of 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol?
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 43822520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).