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

C14H21N3O — CID 43912232

IUPAC3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
SMILESCC(C)Cc1nc2cc(N)ccc2n1CCCO
InChIInChI=1S/C14H21N3O/c1-10(2)8-14-16-12-9-11(15)4-5-13(12)17(14)6-3-7-18/h4-5,9-10,18H,3,6-8,15H2,1-2H3
InChIKeyLYDFOXTVCDGJAT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds5

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

3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 43912232) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
PubChem CID43912232
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
SMILESCC(C)Cc1nc2cc(N)ccc2n1CCCO
InChIInChI=1S/C14H21N3O/c1-10(2)8-14-16-12-9-11(15)4-5-13(12)17(14)6-3-7-18/h4-5,9-10,18H,3,6-8,15H2,1-2H3
InChIKeyLYDFOXTVCDGJAT-UHFFFAOYSA-N
XLogP2.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol 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 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol (CID 43912232) is 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol is CC(C)Cc1nc2cc(N)ccc2n1CCCO.
What is the InChIKey of 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is LYDFOXTVCDGJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)8-14-16-12-9-11(15)4-5-13(12)17(14)6-3-7-18/h4-5,9-10,18H,3,6-8,15H2,1-2H3.
What are the key properties of 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol?
3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 43912232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).