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

C27H25F2N5O2 — CID 134371913

IUPAC4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCC(C)Cc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C27H25F2N5O2/c1-16(2)13-23-32-25-18(27-31-7-10-36-27)14-17(33-8-11-35-12-9-33)15-22(25)34(23)21-5-6-30-26-20(29)4-3-19(28)24(21)26/h3-7,10,14-16H,8-9,11-13H2,1-2H3
InChIKeyCZKGCGPYQUBVBZ-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.54
Rot. Bonds5

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

4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371913) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371913
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCC(C)Cc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C27H25F2N5O2/c1-16(2)13-23-32-25-18(27-31-7-10-36-27)14-17(33-8-11-35-12-9-33)15-22(25)34(23)21-5-6-30-26-20(29)4-3-19(28)24(21)26/h3-7,10,14-16H,8-9,11-13H2,1-2H3
InChIKeyCZKGCGPYQUBVBZ-UHFFFAOYSA-N
XLogP5.54
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-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-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371913) is 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is CC(C)Cc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is CZKGCGPYQUBVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c1-16(2)13-23-32-25-18(27-31-7-10-36-27)14-17(33-8-11-35-12-9-33)15-22(25)34(23)21-5-6-30-26-20(29)4-3-19(28)24(21)26/h3-7,10,14-16H,8-9,11-13H2,1-2H3.
What are the key properties of 4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(5,8-difluoroquinolin-4-yl)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 489.53 g/mol, XLogP of 5.54, 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)-2-(2-methylpropyl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).