4-(5-aminobenzimidazol-1-yl)butan-2-ol

C11H15N3O — CID 64912560

IUPAC4-(5-aminobenzimidazol-1-yl)butan-2-ol
SMILESCC(O)CCn1cnc2cc(N)ccc21
InChIInChI=1S/C11H15N3O/c1-8(15)4-5-14-7-13-10-6-9(12)2-3-11(10)14/h2-3,6-8,15H,4-5,12H2,1H3
InChIKeyRUBPSFCWYYKYJQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.39
Rot. Bonds3

About 4-(5-aminobenzimidazol-1-yl)butan-2-ol

4-(5-aminobenzimidazol-1-yl)butan-2-ol (PubChem CID 64912560) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(5-aminobenzimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-(5-aminobenzimidazol-1-yl)butan-2-ol
PubChem CID64912560
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(5-aminobenzimidazol-1-yl)butan-2-ol
SMILESCC(O)CCn1cnc2cc(N)ccc21
InChIInChI=1S/C11H15N3O/c1-8(15)4-5-14-7-13-10-6-9(12)2-3-11(10)14/h2-3,6-8,15H,4-5,12H2,1H3
InChIKeyRUBPSFCWYYKYJQ-UHFFFAOYSA-N
XLogP1.39
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.39
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 4-(5-aminobenzimidazol-1-yl)butan-2-ol?
The IUPAC name of 4-(5-aminobenzimidazol-1-yl)butan-2-ol (CID 64912560) is 4-(5-aminobenzimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 4-(5-aminobenzimidazol-1-yl)butan-2-ol?
The canonical SMILES for 4-(5-aminobenzimidazol-1-yl)butan-2-ol is CC(O)CCn1cnc2cc(N)ccc21.
What is the InChIKey of 4-(5-aminobenzimidazol-1-yl)butan-2-ol?
The InChIKey is RUBPSFCWYYKYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(15)4-5-14-7-13-10-6-9(12)2-3-11(10)14/h2-3,6-8,15H,4-5,12H2,1H3.
What are the key properties of 4-(5-aminobenzimidazol-1-yl)butan-2-ol?
4-(5-aminobenzimidazol-1-yl)butan-2-ol has a molecular weight of 205.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminobenzimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 64912560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).