[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H20FN5O2 — CID 126858225

IUPAC[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CCn3cnc4cc(F)ccc43)CC2)no1
InChIInChI=1S/C18H20FN5O2/c1-13-10-16(21-26-13)18(25)23-7-4-22(5-8-23)6-9-24-12-20-15-11-14(19)2-3-17(15)24/h2-3,10-12H,4-9H2,1H3
InChIKeyRAOUDQWCSXGKMS-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.93
Rot. Bonds4

About [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 126858225) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID126858225
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CCn3cnc4cc(F)ccc43)CC2)no1
InChIInChI=1S/C18H20FN5O2/c1-13-10-16(21-26-13)18(25)23-7-4-22(5-8-23)6-9-24-12-20-15-11-14(19)2-3-17(15)24/h2-3,10-12H,4-9H2,1H3
InChIKeyRAOUDQWCSXGKMS-UHFFFAOYSA-N
XLogP1.93
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 126858225) is [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(CCn3cnc4cc(F)ccc43)CC2)no1.
What is the InChIKey of [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RAOUDQWCSXGKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-13-10-16(21-26-13)18(25)23-7-4-22(5-8-23)6-9-24-12-20-15-11-14(19)2-3-17(15)24/h2-3,10-12H,4-9H2,1H3.
What are the key properties of [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 357.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 126858225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).