4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine

C26H24FN5O2 — CID 134371917

IUPAC4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C26H24FN5O2/c1-2-4-23-30-25-19(26-29-9-12-34-26)15-17(31-10-13-33-14-11-31)16-22(25)32(23)21-7-8-28-24-18(21)5-3-6-20(24)27/h3,5-9,12,15-16H,2,4,10-11,13-14H2,1H3
InChIKeyZCVCRWQQXURJGU-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.16
Rot. Bonds5

About 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine

4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine (PubChem CID 134371917) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
PubChem CID134371917
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C26H24FN5O2/c1-2-4-23-30-25-19(26-29-9-12-34-26)15-17(31-10-13-33-14-11-31)16-22(25)32(23)21-7-8-28-24-18(21)5-3-6-20(24)27/h3,5-9,12,15-16H,2,4,10-11,13-14H2,1H3
InChIKeyZCVCRWQQXURJGU-UHFFFAOYSA-N
XLogP5.16
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine (CID 134371917) is 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine is CCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12.
What is the InChIKey of 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The InChIKey is ZCVCRWQQXURJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-2-4-23-30-25-19(26-29-9-12-34-26)15-17(31-10-13-33-14-11-31)16-22(25)32(23)21-7-8-28-24-18(21)5-3-6-20(24)27/h3,5-9,12,15-16H,2,4,10-11,13-14H2,1H3.
What are the key properties of 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine has a molecular weight of 457.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).