(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride

C7H13ClN2O2 — CID 173103248

IUPAC(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
SMILESC[C@@H](O)C(O)c1nccn1C.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-5(10)6(11)7-8-3-4-9(7)2;/h3-6,10-11H,1-2H3;1H/t5-,6?;/m1./s1
InChIKeyCBGFVHBLDTUAAH-VQALBSKCSA-N
MW192.65 g/mol
LogP0.26
Rot. Bonds2

About (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride

(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride (PubChem CID 173103248) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
PubChem CID173103248
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
SMILESC[C@@H](O)C(O)c1nccn1C.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-5(10)6(11)7-8-3-4-9(7)2;/h3-6,10-11H,1-2H3;1H/t5-,6?;/m1./s1
InChIKeyCBGFVHBLDTUAAH-VQALBSKCSA-N
XLogP0.26
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65206047
methyl 3,4-dihydroxy-4-(1-methylimidazol-2-yl)butanoate
CID 171894999
imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol
CID 159584729
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride?
The IUPAC name of (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride (CID 173103248) is (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride.
What is the SMILES notation for (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride?
The canonical SMILES for (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride is C[C@@H](O)C(O)c1nccn1C.Cl.
What is the InChIKey of (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride?
The InChIKey is CBGFVHBLDTUAAH-VQALBSKCSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c1-5(10)6(11)7-8-3-4-9(7)2;/h3-6,10-11H,1-2H3;1H/t5-,6?;/m1./s1.
What are the key properties of (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride?
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride is sourced from PubChem (CID 173103248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).