9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol

C25H23ClFN5O2 — CID 122622592

IUPAC9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
SMILESOC1(c2cc(F)cc(Cl)c2)CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C25H23ClFN5O2/c26-19-10-18(11-20(27)12-19)25(33)5-1-2-21-23(25)32-15-16(3-4-22(32)30-21)17-13-28-24(29-14-17)31-6-8-34-9-7-31/h3-4,10-15,33H,1-2,5-9H2
InChIKeyGNKHONJAIVRXEO-UHFFFAOYSA-N
MW479.94 g/mol
LogP3.99
Rot. Bonds3

About 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol

9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol (PubChem CID 122622592) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol.

Molecular Properties

Compound Name9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
PubChem CID122622592
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
SMILESOC1(c2cc(F)cc(Cl)c2)CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C25H23ClFN5O2/c26-19-10-18(11-20(27)12-19)25(33)5-1-2-21-23(25)32-15-16(3-4-22(32)30-21)17-13-28-24(29-14-17)31-6-8-34-9-7-31/h3-4,10-15,33H,1-2,5-9H2
InChIKeyGNKHONJAIVRXEO-UHFFFAOYSA-N
XLogP3.99
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol 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 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The IUPAC name of 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol (CID 122622592) is 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol.
What is the SMILES notation for 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The canonical SMILES for 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol is OC1(c2cc(F)cc(Cl)c2)CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21.
What is the InChIKey of 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The InChIKey is GNKHONJAIVRXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c26-19-10-18(11-20(27)12-19)25(33)5-1-2-21-23(25)32-15-16(3-4-22(32)30-21)17-13-28-24(29-14-17)31-6-8-34-9-7-31/h3-4,10-15,33H,1-2,5-9H2.
What are the key properties of 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol has a molecular weight of 479.94 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-5-fluorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol is sourced from PubChem (CID 122622592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).