2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol

C16H17N3O2 — CID 70776350

IUPAC2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol
SMILESOCC(Cc1ccco1)Cn1ccnc1-c1ccccn1
InChIInChI=1S/C16H17N3O2/c20-12-13(10-14-4-3-9-21-14)11-19-8-7-18-16(19)15-5-1-2-6-17-15/h1-9,13,20H,10-12H2
InChIKeyZASOSPGLALEFCH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.39
Rot. Bonds6

About 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol

2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol (PubChem CID 70776350) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol
PubChem CID70776350
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol
SMILESOCC(Cc1ccco1)Cn1ccnc1-c1ccccn1
InChIInChI=1S/C16H17N3O2/c20-12-13(10-14-4-3-9-21-14)11-19-8-7-18-16(19)15-5-1-2-6-17-15/h1-9,13,20H,10-12H2
InChIKeyZASOSPGLALEFCH-UHFFFAOYSA-N
XLogP2.39
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol?
The IUPAC name of 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol (CID 70776350) is 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol is OCC(Cc1ccco1)Cn1ccnc1-c1ccccn1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol?
The InChIKey is ZASOSPGLALEFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-12-13(10-14-4-3-9-21-14)11-19-8-7-18-16(19)15-5-1-2-6-17-15/h1-9,13,20H,10-12H2.
What are the key properties of 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol?
2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 70776350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).