1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol

C13H18N4O — CID 112624225

IUPAC1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C13H18N4O/c1-8(18)9-4-5-17(7-9)13-15-11-3-2-10(14)6-12(11)16-13/h2-3,6,8-9,18H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyQSDLMMAPSLZSAU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.35
Rot. Bonds2

About 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112624225) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID112624225
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C13H18N4O/c1-8(18)9-4-5-17(7-9)13-15-11-3-2-10(14)6-12(11)16-13/h2-3,6,8-9,18H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyQSDLMMAPSLZSAU-UHFFFAOYSA-N
XLogP1.35
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol (CID 112624225) is 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2nc3ccc(N)cc3[nH]2)C1.
What is the InChIKey of 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is QSDLMMAPSLZSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(18)9-4-5-17(7-9)13-15-11-3-2-10(14)6-12(11)16-13/h2-3,6,8-9,18H,4-5,7,14H2,1H3,(H,15,16).
What are the key properties of 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).