1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol

C12H14N2O2 — CID 155918481

IUPAC1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol
SMILESCC(n1ccnc1-c1ccco1)C1(O)CC1
InChIInChI=1S/C12H14N2O2/c1-9(12(15)4-5-12)14-7-6-13-11(14)10-3-2-8-16-10/h2-3,6-9,15H,4-5H2,1H3
InChIKeyKPOYMINIGQAYPT-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.23
Rot. Bonds3

About 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol

1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol (PubChem CID 155918481) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol
PubChem CID155918481
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol
SMILESCC(n1ccnc1-c1ccco1)C1(O)CC1
InChIInChI=1S/C12H14N2O2/c1-9(12(15)4-5-12)14-7-6-13-11(14)10-3-2-8-16-10/h2-3,6-9,15H,4-5H2,1H3
InChIKeyKPOYMINIGQAYPT-UHFFFAOYSA-N
XLogP2.23
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol (CID 155918481) is 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol is CC(n1ccnc1-c1ccco1)C1(O)CC1.
What is the InChIKey of 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol?
The InChIKey is KPOYMINIGQAYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(12(15)4-5-12)14-7-6-13-11(14)10-3-2-8-16-10/h2-3,6-9,15H,4-5H2,1H3.
What are the key properties of 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol?
1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol is sourced from PubChem (CID 155918481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).