bis(1-ethylimidazol-2-yl)-phenylmethanol

C17H20N4O — CID 3140477

IUPACbis(1-ethylimidazol-2-yl)-phenylmethanol
SMILESCCn1ccnc1C(O)(c1ccccc1)c1nccn1CC
InChIInChI=1S/C17H20N4O/c1-3-20-12-10-18-15(20)17(22,14-8-6-5-7-9-14)16-19-11-13-21(16)4-2/h5-13,22H,3-4H2,1-2H3
InChIKeyQVGCXTHUHFRWNM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds5

About bis(1-ethylimidazol-2-yl)-phenylmethanol

bis(1-ethylimidazol-2-yl)-phenylmethanol (PubChem CID 3140477) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is bis(1-ethylimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Namebis(1-ethylimidazol-2-yl)-phenylmethanol
PubChem CID3140477
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Namebis(1-ethylimidazol-2-yl)-phenylmethanol
SMILESCCn1ccnc1C(O)(c1ccccc1)c1nccn1CC
InChIInChI=1S/C17H20N4O/c1-3-20-12-10-18-15(20)17(22,14-8-6-5-7-9-14)16-19-11-13-21(16)4-2/h5-13,22H,3-4H2,1-2H3
InChIKeyQVGCXTHUHFRWNM-UHFFFAOYSA-N
XLogP2.40
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethylimidazol-2-yl)-phenylmethanol?
The IUPAC name of bis(1-ethylimidazol-2-yl)-phenylmethanol (CID 3140477) is bis(1-ethylimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for bis(1-ethylimidazol-2-yl)-phenylmethanol?
The canonical SMILES for bis(1-ethylimidazol-2-yl)-phenylmethanol is CCn1ccnc1C(O)(c1ccccc1)c1nccn1CC.
What is the InChIKey of bis(1-ethylimidazol-2-yl)-phenylmethanol?
The InChIKey is QVGCXTHUHFRWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-20-12-10-18-15(20)17(22,14-8-6-5-7-9-14)16-19-11-13-21(16)4-2/h5-13,22H,3-4H2,1-2H3.
What are the key properties of bis(1-ethylimidazol-2-yl)-phenylmethanol?
bis(1-ethylimidazol-2-yl)-phenylmethanol has a molecular weight of 296.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylimidazol-2-yl)-phenylmethanol is sourced from PubChem (CID 3140477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).