2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol

C8H15N3O — CID 58360789

IUPAC2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol
SMILESCC(C)c1ncc(NCCO)[nH]1
InChIInChI=1S/C8H15N3O/c1-6(2)8-10-5-7(11-8)9-3-4-12/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyNPOCLJLZUSOVRH-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.94
Rot. Bonds4

About 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol

2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol (PubChem CID 58360789) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol
PubChem CID58360789
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol
SMILESCC(C)c1ncc(NCCO)[nH]1
InChIInChI=1S/C8H15N3O/c1-6(2)8-10-5-7(11-8)9-3-4-12/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyNPOCLJLZUSOVRH-UHFFFAOYSA-N
XLogP0.94
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]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 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol?
The IUPAC name of 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol (CID 58360789) is 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol is CC(C)c1ncc(NCCO)[nH]1.
What is the InChIKey of 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol?
The InChIKey is NPOCLJLZUSOVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)8-10-5-7(11-8)9-3-4-12/h5-6,9,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol?
2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol has a molecular weight of 169.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol is sourced from PubChem (CID 58360789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).