5-propan-2-yl-1H-imidazol-4-ol

C6H10N2O — CID 57158194

IUPAC5-propan-2-yl-1H-imidazol-4-ol
SMILESCC(C)c1[nH]cnc1O
InChIInChI=1S/C6H10N2O/c1-4(2)5-6(9)8-3-7-5/h3-4,9H,1-2H3,(H,7,8)
InChIKeyYXZQTGZARLZKPP-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.24
Rot. Bonds1

About 5-propan-2-yl-1H-imidazol-4-ol

5-propan-2-yl-1H-imidazol-4-ol (PubChem CID 57158194) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-propan-2-yl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-propan-2-yl-1H-imidazol-4-ol
PubChem CID57158194
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-propan-2-yl-1H-imidazol-4-ol
SMILESCC(C)c1[nH]cnc1O
InChIInChI=1S/C6H10N2O/c1-4(2)5-6(9)8-3-7-5/h3-4,9H,1-2H3,(H,7,8)
InChIKeyYXZQTGZARLZKPP-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-imidazol-4-ol?
The IUPAC name of 5-propan-2-yl-1H-imidazol-4-ol (CID 57158194) is 5-propan-2-yl-1H-imidazol-4-ol.
What is the SMILES notation for 5-propan-2-yl-1H-imidazol-4-ol?
The canonical SMILES for 5-propan-2-yl-1H-imidazol-4-ol is CC(C)c1[nH]cnc1O.
What is the InChIKey of 5-propan-2-yl-1H-imidazol-4-ol?
The InChIKey is YXZQTGZARLZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(2)5-6(9)8-3-7-5/h3-4,9H,1-2H3,(H,7,8).
What are the key properties of 5-propan-2-yl-1H-imidazol-4-ol?
5-propan-2-yl-1H-imidazol-4-ol has a molecular weight of 126.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-imidazol-4-ol is sourced from PubChem (CID 57158194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).