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

C26H27N5O2 — CID 122622693

IUPAC9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
SMILESCc1cccc(C2(O)CCCc3nc4ccc(-c5cnc(N6CCOCC6)nc5)cn4c32)c1
InChIInChI=1S/C26H27N5O2/c1-18-4-2-5-21(14-18)26(32)9-3-6-22-24(26)31-17-19(7-8-23(31)29-22)20-15-27-25(28-16-20)30-10-12-33-13-11-30/h2,4-5,7-8,14-17,32H,3,6,9-13H2,1H3
InChIKeyHPGOADIEAMRSHM-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.51
Rot. Bonds3

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

9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol (PubChem CID 122622693) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol.

Molecular Properties

Compound Name9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
PubChem CID122622693
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
SMILESCc1cccc(C2(O)CCCc3nc4ccc(-c5cnc(N6CCOCC6)nc5)cn4c32)c1
InChIInChI=1S/C26H27N5O2/c1-18-4-2-5-21(14-18)26(32)9-3-6-22-24(26)31-17-19(7-8-23(31)29-22)20-15-27-25(28-16-20)30-10-12-33-13-11-30/h2,4-5,7-8,14-17,32H,3,6,9-13H2,1H3
InChIKeyHPGOADIEAMRSHM-UHFFFAOYSA-N
XLogP3.51
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine
CID 122621977
ethane;2-hydroxy-6-(2-morpholin-4-ylpyrimidin-5-yl)cyclohepta-2,4,6-trien-1-one
CID 156729078
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine
CID 145172022
4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668905
12-(1-methylpyrazol-4-yl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 134328738
(E)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
CID 52683211
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
CID 52683225
(4-ethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]methanone
CID 46954655

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The IUPAC name of 9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol (CID 122622693) is 9-(3-methylphenyl)-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-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The canonical SMILES for 9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol is Cc1cccc(C2(O)CCCc3nc4ccc(-c5cnc(N6CCOCC6)nc5)cn4c32)c1.
What is the InChIKey of 9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
The InChIKey is HPGOADIEAMRSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-4-2-5-21(14-18)26(32)9-3-6-22-24(26)31-17-19(7-8-23(31)29-22)20-15-27-25(28-16-20)30-10-12-33-13-11-30/h2,4-5,7-8,14-17,32H,3,6,9-13H2,1H3.
What are the key properties of 9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol?
9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol has a molecular weight of 441.54 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol is sourced from PubChem (CID 122622693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).