[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C22H23FN6O — CID 126858222

IUPAC[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCN(CCn2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C22H23FN6O/c1-16-21(29-7-3-2-4-20(29)25-16)22(30)27-11-8-26(9-12-27)10-13-28-15-24-18-14-17(23)5-6-19(18)28/h2-7,14-15H,8-13H2,1H3
InChIKeyJELUTQNFJRKYPL-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.59
Rot. Bonds4

About [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 126858222) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID126858222
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCN(CCn2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C22H23FN6O/c1-16-21(29-7-3-2-4-20(29)25-16)22(30)27-11-8-26(9-12-27)10-13-28-15-24-18-14-17(23)5-6-19(18)28/h2-7,14-15H,8-13H2,1H3
InChIKeyJELUTQNFJRKYPL-UHFFFAOYSA-N
XLogP2.59
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.59
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]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 126858222) is [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is Cc1nc2ccccn2c1C(=O)N1CCN(CCn2cnc3cc(F)ccc32)CC1.
What is the InChIKey of [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is JELUTQNFJRKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-16-21(29-7-3-2-4-20(29)25-16)22(30)27-11-8-26(9-12-27)10-13-28-15-24-18-14-17(23)5-6-19(18)28/h2-7,14-15H,8-13H2,1H3.
What are the key properties of [4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 406.47 g/mol, XLogP of 2.59, 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]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 126858222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).