2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

C19H20FN5O2 — CID 119100440

IUPAC2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCc1ncnc(OC2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F
InChIInChI=1S/C19H20FN5O2/c1-2-14-18(20)19(22-11-21-14)27-13-7-8-24(9-13)17(26)10-25-12-23-15-5-3-4-6-16(15)25/h3-6,11-13H,2,7-10H2,1H3
InChIKeyUGFIIHNECVAUSW-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.21
Rot. Bonds5

About 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 119100440) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID119100440
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCc1ncnc(OC2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F
InChIInChI=1S/C19H20FN5O2/c1-2-14-18(20)19(22-11-21-14)27-13-7-8-24(9-13)17(26)10-25-12-23-15-5-3-4-6-16(15)25/h3-6,11-13H,2,7-10H2,1H3
InChIKeyUGFIIHNECVAUSW-UHFFFAOYSA-N
XLogP2.21
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone (CID 119100440) is 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is CCc1ncnc(OC2CCN(C(=O)Cn3cnc4ccccc43)C2)c1F.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is UGFIIHNECVAUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-2-14-18(20)19(22-11-21-14)27-13-7-8-24(9-13)17(26)10-25-12-23-15-5-3-4-6-16(15)25/h3-6,11-13H,2,7-10H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 369.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119100440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).