2-(1H-imidazol-2-yl)propan-2-ol

C6H10N2O — CID 15123323

IUPAC2-(1H-imidazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1ncc[nH]1
InChIInChI=1S/C6H10N2O/c1-6(2,9)5-7-3-4-8-5/h3-4,9H,1-2H3,(H,7,8)
InChIKeyCJYJVIFSBZSJBN-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.64
Rot. Bonds1

About 2-(1H-imidazol-2-yl)propan-2-ol

2-(1H-imidazol-2-yl)propan-2-ol (PubChem CID 15123323) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)propan-2-ol
PubChem CID15123323
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(1H-imidazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1ncc[nH]1
InChIInChI=1S/C6H10N2O/c1-6(2,9)5-7-3-4-8-5/h3-4,9H,1-2H3,(H,7,8)
InChIKeyCJYJVIFSBZSJBN-UHFFFAOYSA-N
XLogP0.64
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)propan-2-ol?
The IUPAC name of 2-(1H-imidazol-2-yl)propan-2-ol (CID 15123323) is 2-(1H-imidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(1H-imidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(1H-imidazol-2-yl)propan-2-ol is CC(C)(O)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)propan-2-ol?
The InChIKey is CJYJVIFSBZSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(2,9)5-7-3-4-8-5/h3-4,9H,1-2H3,(H,7,8).
What are the key properties of 2-(1H-imidazol-2-yl)propan-2-ol?
2-(1H-imidazol-2-yl)propan-2-ol has a molecular weight of 126.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)propan-2-ol is sourced from PubChem (CID 15123323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).