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

C26H23F2N5O2 — CID 134361801

IUPAC4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C26H23F2N5O2/c1-2-3-22-31-24-17(26-30-8-11-35-26)14-16(32-9-12-34-13-10-32)15-21(24)33(22)20-6-7-29-25-19(28)5-4-18(27)23(20)25/h4-8,11,14-15H,2-3,9-10,12-13H2,1H3
InChIKeyATAGVVPGGFENLX-UHFFFAOYSA-N
MW475.50 g/mol
LogP5.30
Rot. Bonds5

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

4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine (PubChem CID 134361801) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
PubChem CID134361801
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC Name4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C26H23F2N5O2/c1-2-3-22-31-24-17(26-30-8-11-35-26)14-16(32-9-12-34-13-10-32)15-21(24)33(22)20-6-7-29-25-19(28)5-4-18(27)23(20)25/h4-8,11,14-15H,2-3,9-10,12-13H2,1H3
InChIKeyATAGVVPGGFENLX-UHFFFAOYSA-N
XLogP5.30
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine (CID 134361801) is 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine is CCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The InChIKey is ATAGVVPGGFENLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-2-3-22-31-24-17(26-30-8-11-35-26)14-16(32-9-12-34-13-10-32)15-21(24)33(22)20-6-7-29-25-19(28)5-4-18(27)23(20)25/h4-8,11,14-15H,2-3,9-10,12-13H2,1H3.
What are the key properties of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine has a molecular weight of 475.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 134361801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).