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

C25H21F2N5O2 — CID 134371911

IUPAC4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C25H21F2N5O2/c1-2-21-30-23-16(25-29-7-10-34-25)13-15(31-8-11-33-12-9-31)14-20(23)32(21)19-5-6-28-24-18(27)4-3-17(26)22(19)24/h3-7,10,13-14H,2,8-9,11-12H2,1H3
InChIKeyFJNAMXYMJQTPQB-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.91
Rot. Bonds4

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

4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371911) has the molecular formula C25H21F2N5O2 and a molecular weight of 461.47 g/mol. Its IUPAC name is 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371911
Molecular FormulaC25H21F2N5O2
Molecular Weight461.47 g/mol
Exact Mass461.17
IUPAC Name4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C25H21F2N5O2/c1-2-21-30-23-16(25-29-7-10-34-25)13-15(31-8-11-33-12-9-31)14-20(23)32(21)19-5-6-28-24-18(27)4-3-17(26)22(19)24/h3-7,10,13-14H,2,8-9,11-12H2,1H3
InChIKeyFJNAMXYMJQTPQB-UHFFFAOYSA-N
XLogP4.91
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-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)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371911) is 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is FJNAMXYMJQTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2/c1-2-21-30-23-16(25-29-7-10-34-25)13-15(31-8-11-33-12-9-31)14-20(23)32(21)19-5-6-28-24-18(27)4-3-17(26)22(19)24/h3-7,10,13-14H,2,8-9,11-12H2,1H3.
What are the key properties of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 461.47 g/mol, XLogP of 4.91, 4 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)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).