(2-propyl-1H-imidazol-5-yl)methanol

C7H12N2O — CID 11094714

IUPAC(2-propyl-1H-imidazol-5-yl)methanol
SMILESCCCc1ncc(CO)[nH]1
InChIInChI=1S/C7H12N2O/c1-2-3-7-8-4-6(5-10)9-7/h4,10H,2-3,5H2,1H3,(H,8,9)
InChIKeyTUCQOIQFSKJKPH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.85
Rot. Bonds3

About (2-propyl-1H-imidazol-5-yl)methanol

(2-propyl-1H-imidazol-5-yl)methanol (PubChem CID 11094714) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2-propyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-propyl-1H-imidazol-5-yl)methanol
PubChem CID11094714
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2-propyl-1H-imidazol-5-yl)methanol
SMILESCCCc1ncc(CO)[nH]1
InChIInChI=1S/C7H12N2O/c1-2-3-7-8-4-6(5-10)9-7/h4,10H,2-3,5H2,1H3,(H,8,9)
InChIKeyTUCQOIQFSKJKPH-UHFFFAOYSA-N
XLogP0.85
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-propyl-1H-imidazol-5-yl)methanol (CID 11094714) is (2-propyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-propyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-propyl-1H-imidazol-5-yl)methanol is CCCc1ncc(CO)[nH]1.
What is the InChIKey of (2-propyl-1H-imidazol-5-yl)methanol?
The InChIKey is TUCQOIQFSKJKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-7-8-4-6(5-10)9-7/h4,10H,2-3,5H2,1H3,(H,8,9).
What are the key properties of (2-propyl-1H-imidazol-5-yl)methanol?
(2-propyl-1H-imidazol-5-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 11094714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).