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

C13H16N2O — CID 91811687

IUPAC1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C13H16N2O/c1-2-8-13(16,12-14-9-10-15-12)11-6-4-3-5-7-11/h3-7,9-10,16H,2,8H2,1H3,(H,14,15)
InChIKeyVTXGERPCTLOBJV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.45
Rot. Bonds4

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

1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol (PubChem CID 91811687) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
PubChem CID91811687
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C13H16N2O/c1-2-8-13(16,12-14-9-10-15-12)11-6-4-3-5-7-11/h3-7,9-10,16H,2,8H2,1H3,(H,14,15)
InChIKeyVTXGERPCTLOBJV-UHFFFAOYSA-N
XLogP2.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol (CID 91811687) is 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol is CCCC(O)(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol?
The InChIKey is VTXGERPCTLOBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-8-13(16,12-14-9-10-15-12)11-6-4-3-5-7-11/h3-7,9-10,16H,2,8H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol?
1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol is sourced from PubChem (CID 91811687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).