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

C7H12N2O2 — CID 130508965

IUPAC1-(1-methylimidazol-4-yl)propane-1,2-diol
SMILESCC(O)C(O)c1cn(C)cn1
InChIInChI=1S/C7H12N2O2/c1-5(10)7(11)6-3-9(2)4-8-6/h3-5,7,10-11H,1-2H3
InChIKeyCUKDCOJMGIYACX-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.17
Rot. Bonds2

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

1-(1-methylimidazol-4-yl)propane-1,2-diol (PubChem CID 130508965) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)propane-1,2-diol
PubChem CID130508965
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-(1-methylimidazol-4-yl)propane-1,2-diol
SMILESCC(O)C(O)c1cn(C)cn1
InChIInChI=1S/C7H12N2O2/c1-5(10)7(11)6-3-9(2)4-8-6/h3-5,7,10-11H,1-2H3
InChIKeyCUKDCOJMGIYACX-UHFFFAOYSA-N
XLogP-0.17
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130509808
(1-methylimidazol-4-yl)-(propan-2-ylamino)methanol
CID 129044247
4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
CID 107978695
2-amino-3-hydroxy-3-(1-methylimidazol-4-yl)propanoic acid
CID 130598586
4-chloro-1-(1-methylimidazol-4-yl)butane-1,2-diol
CID 171894848
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol
CID 118967253
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
CID 130508957
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
1-(1-methylimidazol-4-yl)ethylhydrazine
CID 107978855

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)propane-1,2-diol?
The IUPAC name of 1-(1-methylimidazol-4-yl)propane-1,2-diol (CID 130508965) is 1-(1-methylimidazol-4-yl)propane-1,2-diol.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)propane-1,2-diol?
The canonical SMILES for 1-(1-methylimidazol-4-yl)propane-1,2-diol is CC(O)C(O)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)propane-1,2-diol?
The InChIKey is CUKDCOJMGIYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(10)7(11)6-3-9(2)4-8-6/h3-5,7,10-11H,1-2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)propane-1,2-diol?
1-(1-methylimidazol-4-yl)propane-1,2-diol has a molecular weight of 156.18 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)propane-1,2-diol is sourced from PubChem (CID 130508965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).