3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol

C7H11ClN2O2 — CID 56632217

IUPAC3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol
SMILESCc1nc(Cl)cn1CC(O)CO
InChIInChI=1S/C7H11ClN2O2/c1-5-9-7(8)3-10(5)2-6(12)4-11/h3,6,11-12H,2,4H2,1H3
InChIKeyHGKYZRBFGHXMPM-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.20
Rot. Bonds3

About 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol

3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol (PubChem CID 56632217) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol
PubChem CID56632217
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol
SMILESCc1nc(Cl)cn1CC(O)CO
InChIInChI=1S/C7H11ClN2O2/c1-5-9-7(8)3-10(5)2-6(12)4-11/h3,6,11-12H,2,4H2,1H3
InChIKeyHGKYZRBFGHXMPM-UHFFFAOYSA-N
XLogP0.20
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol (CID 56632217) is 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol is Cc1nc(Cl)cn1CC(O)CO.
What is the InChIKey of 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol?
The InChIKey is HGKYZRBFGHXMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-5-9-7(8)3-10(5)2-6(12)4-11/h3,6,11-12H,2,4H2,1H3.
What are the key properties of 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol?
3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol has a molecular weight of 190.63 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 56632217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).