[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone

C17H14FN3O2 — CID 53183366

IUPAC[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C17H14FN3O2/c18-14-5-2-1-4-13(14)15-10-20-7-3-8-21(17(20)19-15)16(22)12-6-9-23-11-12/h1-2,4-6,9-11H,3,7-8H2
InChIKeyMWDUGKWXMKMELQ-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.33
Rot. Bonds2

About [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone

[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone (PubChem CID 53183366) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone
PubChem CID53183366
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C17H14FN3O2/c18-14-5-2-1-4-13(14)15-10-20-7-3-8-21(17(20)19-15)16(22)12-6-9-23-11-12/h1-2,4-6,9-11H,3,7-8H2
InChIKeyMWDUGKWXMKMELQ-UHFFFAOYSA-N
XLogP3.33
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone?
The IUPAC name of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone (CID 53183366) is [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone?
The canonical SMILES for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCn2cc(-c3ccccc3F)nc21.
What is the InChIKey of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone?
The InChIKey is MWDUGKWXMKMELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-5-2-1-4-13(14)15-10-20-7-3-8-21(17(20)19-15)16(22)12-6-9-23-11-12/h1-2,4-6,9-11H,3,7-8H2.
What are the key properties of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone?
[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone has a molecular weight of 311.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 53183366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).