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

C25H24ClN5O2 — CID 122621769

IUPAC9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
SMILESOC1(c2cccc(Cl)c2)CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C25H24ClN5O2/c26-20-4-1-3-19(13-20)25(32)8-2-5-21-23(25)31-16-17(6-7-22(31)29-21)18-14-27-24(28-15-18)30-9-11-33-12-10-30/h1,3-4,6-7,13-16,32H,2,5,8-12H2
InChIKeyPXYQBLWYZMMNQH-UHFFFAOYSA-N
MW461.95 g/mol
LogP3.85
Rot. Bonds3

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

9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol (PubChem CID 122621769) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol.

Molecular Properties

Compound Name9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
PubChem CID122621769
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
SMILESOC1(c2cccc(Cl)c2)CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C25H24ClN5O2/c26-20-4-1-3-19(13-20)25(32)8-2-5-21-23(25)31-16-17(6-7-22(31)29-21)18-14-27-24(28-15-18)30-9-11-33-12-10-30/h1,3-4,6-7,13-16,32H,2,5,8-12H2
InChIKeyPXYQBLWYZMMNQH-UHFFFAOYSA-N
XLogP3.85
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The IUPAC name of 9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol (CID 122621769) is 9-(3-chlorophenyl)-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-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The canonical SMILES for 9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol is OC1(c2cccc(Cl)c2)CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21.
What is the InChIKey of 9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The InChIKey is PXYQBLWYZMMNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c26-20-4-1-3-19(13-20)25(32)8-2-5-21-23(25)31-16-17(6-7-22(31)29-21)18-14-27-24(28-15-18)30-9-11-33-12-10-30/h1,3-4,6-7,13-16,32H,2,5,8-12H2.
What are the key properties of 9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol has a molecular weight of 461.95 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol is sourced from PubChem (CID 122621769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).