(4-propan-2-yl-1H-imidazol-5-yl)methanol

C7H12N2O — CID 12615462

IUPAC(4-propan-2-yl-1H-imidazol-5-yl)methanol
SMILESCC(C)c1nc[nH]c1CO
InChIInChI=1S/C7H12N2O/c1-5(2)7-6(3-10)8-4-9-7/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyIETWVRUKWUZOSV-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.03
Rot. Bonds2

About (4-propan-2-yl-1H-imidazol-5-yl)methanol

(4-propan-2-yl-1H-imidazol-5-yl)methanol (PubChem CID 12615462) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (4-propan-2-yl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-yl-1H-imidazol-5-yl)methanol
PubChem CID12615462
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(4-propan-2-yl-1H-imidazol-5-yl)methanol
SMILESCC(C)c1nc[nH]c1CO
InChIInChI=1S/C7H12N2O/c1-5(2)7-6(3-10)8-4-9-7/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyIETWVRUKWUZOSV-UHFFFAOYSA-N
XLogP1.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1H-imidazol-5-yl)methanol?
The IUPAC name of (4-propan-2-yl-1H-imidazol-5-yl)methanol (CID 12615462) is (4-propan-2-yl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (4-propan-2-yl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (4-propan-2-yl-1H-imidazol-5-yl)methanol is CC(C)c1nc[nH]c1CO.
What is the InChIKey of (4-propan-2-yl-1H-imidazol-5-yl)methanol?
The InChIKey is IETWVRUKWUZOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)7-6(3-10)8-4-9-7/h4-5,10H,3H2,1-2H3,(H,8,9).
What are the key properties of (4-propan-2-yl-1H-imidazol-5-yl)methanol?
(4-propan-2-yl-1H-imidazol-5-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 12615462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).