2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol

C7H12ClN3O2 — CID 130490908

IUPAC2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol
SMILESCn1c(Cl)cnc1C(O)C(N)CO
InChIInChI=1S/C7H12ClN3O2/c1-11-5(8)2-10-7(11)6(13)4(9)3-12/h2,4,6,12-13H,3,9H2,1H3
InChIKeyVHUCBBSUYTULAU-UHFFFAOYSA-N
MW205.65 g/mol
LogP-0.57
Rot. Bonds3

About 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol

2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol (PubChem CID 130490908) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol
PubChem CID130490908
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol
SMILESCn1c(Cl)cnc1C(O)C(N)CO
InChIInChI=1S/C7H12ClN3O2/c1-11-5(8)2-10-7(11)6(13)4(9)3-12/h2,4,6,12-13H,3,9H2,1H3
InChIKeyVHUCBBSUYTULAU-UHFFFAOYSA-N
XLogP-0.57
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(1-hydroxyethyl)-1,3-dimethyl-1H-imidazol-3-ium iodide
CID 6602768
1-(5-chloro-1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 3144501
2-amino-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol dihydrochloride
CID 45156287
1-(5-chloro-1-methyl-1H-imidazol-2-yl)propan-2-ol
CID 155820095
5-chloro-2-(1-hydroxyethyl)-1,3-dimethyl-1H-imidazol-3-ium
CID 663345
2-amino-1-(1-methyl-1H-imidazol-2-yl)ethanol
CID 19616379
(1S)-1-(4-chloro-1,3-dimethylimidazol-1-ium-2-yl)ethanol
CID 938158
1-[1-(3-Aminopropyl)imidazol-2-yl]ethanol
CID 18722233
3-(4-Chloro-2-methylimidazol-1-yl)propane-1,2-diol
CID 56632217
(2R)-2-amino-3-(1-methylimidazol-2-yl)propan-1-ol
CID 93991920
(2R)-2-amino-3-(1-ethylimidazol-2-yl)propan-1-ol
CID 135132821
(2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol
CID 135132887

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol (CID 130490908) is 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol is Cn1c(Cl)cnc1C(O)C(N)CO.
What is the InChIKey of 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol?
The InChIKey is VHUCBBSUYTULAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2/c1-11-5(8)2-10-7(11)6(13)4(9)3-12/h2,4,6,12-13H,3,9H2,1H3.
What are the key properties of 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol?
2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol has a molecular weight of 205.65 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol is sourced from PubChem (CID 130490908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).