(2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol

C13H19N3O — CID 155547025

IUPAC(2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol
SMILESCCC(C)c1ccc2nc([C@@H](N)CO)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-3-8(2)9-4-5-11-12(6-9)16-13(15-11)10(14)7-17/h4-6,8,10,17H,3,7,14H2,1-2H3,(H,15,16)/t8?,10-/m0/s1
InChIKeySPDBJNQAYWPQFW-HTLJXXAVSA-N
MW233.31 g/mol
LogP2.07
Rot. Bonds4

About (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol

(2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol (PubChem CID 155547025) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol
PubChem CID155547025
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol
SMILESCCC(C)c1ccc2nc([C@@H](N)CO)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-3-8(2)9-4-5-11-12(6-9)16-13(15-11)10(14)7-17/h4-6,8,10,17H,3,7,14H2,1-2H3,(H,15,16)/t8?,10-/m0/s1
InChIKeySPDBJNQAYWPQFW-HTLJXXAVSA-N
XLogP2.07
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-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 (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol (CID 155547025) is (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol is CCC(C)c1ccc2nc([C@@H](N)CO)[nH]c2c1.
What is the InChIKey of (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is SPDBJNQAYWPQFW-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-8(2)9-4-5-11-12(6-9)16-13(15-11)10(14)7-17/h4-6,8,10,17H,3,7,14H2,1-2H3,(H,15,16)/t8?,10-/m0/s1.
What are the key properties of (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol?
(2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 155547025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).