8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole

C24H25FN4O — CID 58362564

IUPAC8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole
SMILESCN1CCN(c2ccc(-c3ccn4c(c3)nc3ccc(OCCF)cc34)cc2)CC1
InChIInChI=1S/C24H25FN4O/c1-27-11-13-28(14-12-27)20-4-2-18(3-5-20)19-8-10-29-23-17-21(30-15-9-25)6-7-22(23)26-24(29)16-19/h2-8,10,16-17H,9,11-15H2,1H3
InChIKeyIHUYUWASLJBETL-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.25
Rot. Bonds5

About 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole

8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole (PubChem CID 58362564) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole
PubChem CID58362564
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole
SMILESCN1CCN(c2ccc(-c3ccn4c(c3)nc3ccc(OCCF)cc34)cc2)CC1
InChIInChI=1S/C24H25FN4O/c1-27-11-13-28(14-12-27)20-4-2-18(3-5-20)19-8-10-29-23-17-21(30-15-9-25)6-7-22(23)26-24(29)16-19/h2-8,10,16-17H,9,11-15H2,1H3
InChIKeyIHUYUWASLJBETL-UHFFFAOYSA-N
XLogP4.25
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole?
The IUPAC name of 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole (CID 58362564) is 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole?
The canonical SMILES for 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole is CN1CCN(c2ccc(-c3ccn4c(c3)nc3ccc(OCCF)cc34)cc2)CC1.
What is the InChIKey of 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole?
The InChIKey is IHUYUWASLJBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-27-11-13-28(14-12-27)20-4-2-18(3-5-20)19-8-10-29-23-17-21(30-15-9-25)6-7-22(23)26-24(29)16-19/h2-8,10,16-17H,9,11-15H2,1H3.
What are the key properties of 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole?
8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole has a molecular weight of 404.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoroethoxy)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 58362564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).