3-(5-aminobenzimidazol-1-yl)propan-1-ol

C10H13N3O — CID 6504205

IUPAC3-(5-aminobenzimidazol-1-yl)propan-1-ol
SMILESNc1ccc2c(c1)ncn2CCCO
InChIInChI=1S/C10H13N3O/c11-8-2-3-10-9(6-8)12-7-13(10)4-1-5-14/h2-3,6-7,14H,1,4-5,11H2
InChIKeyYTAHHOGABYQTFD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.00
Rot. Bonds3

About 3-(5-aminobenzimidazol-1-yl)propan-1-ol

3-(5-aminobenzimidazol-1-yl)propan-1-ol (PubChem CID 6504205) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(5-aminobenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-aminobenzimidazol-1-yl)propan-1-ol
PubChem CID6504205
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(5-aminobenzimidazol-1-yl)propan-1-ol
SMILESNc1ccc2c(c1)ncn2CCCO
InChIInChI=1S/C10H13N3O/c11-8-2-3-10-9(6-8)12-7-13(10)4-1-5-14/h2-3,6-7,14H,1,4-5,11H2
InChIKeyYTAHHOGABYQTFD-UHFFFAOYSA-N
XLogP1.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.00
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 3-(5-aminobenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(5-aminobenzimidazol-1-yl)propan-1-ol (CID 6504205) is 3-(5-aminobenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-aminobenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-aminobenzimidazol-1-yl)propan-1-ol is Nc1ccc2c(c1)ncn2CCCO.
What is the InChIKey of 3-(5-aminobenzimidazol-1-yl)propan-1-ol?
The InChIKey is YTAHHOGABYQTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-2-3-10-9(6-8)12-7-13(10)4-1-5-14/h2-3,6-7,14H,1,4-5,11H2.
What are the key properties of 3-(5-aminobenzimidazol-1-yl)propan-1-ol?
3-(5-aminobenzimidazol-1-yl)propan-1-ol has a molecular weight of 191.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminobenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 6504205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).