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

C9H17N3O — CID 18934617

IUPAC1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol
SMILESCC(O)c1cnc(C(N)C(C)C)[nH]1
InChIInChI=1S/C9H17N3O/c1-5(2)8(10)9-11-4-7(12-9)6(3)13/h4-6,8,13H,10H2,1-3H3,(H,11,12)
InChIKeyRNEHAHZKDUFEAX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.12
Rot. Bonds3

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

1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol (PubChem CID 18934617) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol
PubChem CID18934617
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol
SMILESCC(O)c1cnc(C(N)C(C)C)[nH]1
InChIInChI=1S/C9H17N3O/c1-5(2)8(10)9-11-4-7(12-9)6(3)13/h4-6,8,13H,10H2,1-3H3,(H,11,12)
InChIKeyRNEHAHZKDUFEAX-UHFFFAOYSA-N
XLogP1.12
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol (CID 18934617) is 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol is CC(O)c1cnc(C(N)C(C)C)[nH]1.
What is the InChIKey of 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol?
The InChIKey is RNEHAHZKDUFEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5(2)8(10)9-11-4-7(12-9)6(3)13/h4-6,8,13H,10H2,1-3H3,(H,11,12).
What are the key properties of 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol?
1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol has a molecular weight of 183.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]ethanol is sourced from PubChem (CID 18934617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).