2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride

C9H18ClN3O — CID 170892262

IUPAC2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride
SMILESCCc1nc(CC(N)CO)c(C)[nH]1.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-3-9-11-6(2)8(12-9)4-7(10)5-13;/h7,13H,3-5,10H2,1-2H3,(H,11,12);1H
InChIKeyUFFSTAUGYVGOEU-UHFFFAOYSA-N
MW219.72 g/mol
LogP0.56
Rot. Bonds4

About 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride

2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride (PubChem CID 170892262) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride
PubChem CID170892262
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Name2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride
SMILESCCc1nc(CC(N)CO)c(C)[nH]1.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-3-9-11-6(2)8(12-9)4-7(10)5-13;/h7,13H,3-5,10H2,1-2H3,(H,11,12);1H
InChIKeyUFFSTAUGYVGOEU-UHFFFAOYSA-N
XLogP0.56
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride (CID 170892262) is 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride is CCc1nc(CC(N)CO)c(C)[nH]1.Cl.
What is the InChIKey of 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride?
The InChIKey is UFFSTAUGYVGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c1-3-9-11-6(2)8(12-9)4-7(10)5-13;/h7,13H,3-5,10H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride?
2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).