1-(2-methylimidazol-1-yl)propan-2-ol

C7H12N2O — CID 11542800

IUPAC1-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1CC(C)O
InChIInChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3
InChIKeyVUFBCWUJICCKDU-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.57
Rot. Bonds2

About 1-(2-methylimidazol-1-yl)propan-2-ol

1-(2-methylimidazol-1-yl)propan-2-ol (PubChem CID 11542800) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)propan-2-ol
PubChem CID11542800
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1CC(C)O
InChIInChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3
InChIKeyVUFBCWUJICCKDU-UHFFFAOYSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methylimidazol-1-yl)propan-2-ol (CID 11542800) is 1-(2-methylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylimidazol-1-yl)propan-2-ol is Cc1nccn1CC(C)O.
What is the InChIKey of 1-(2-methylimidazol-1-yl)propan-2-ol?
The InChIKey is VUFBCWUJICCKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 1-(2-methylimidazol-1-yl)propan-2-ol?
1-(2-methylimidazol-1-yl)propan-2-ol has a molecular weight of 140.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 11542800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).