4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine

C26H25N5O2 — CID 122621977

IUPAC4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine
SMILESCOc1ccccc1C1=CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C26H25N5O2/c1-32-23-8-3-2-5-20(23)21-6-4-7-22-25(21)31-17-18(9-10-24(31)29-22)19-15-27-26(28-16-19)30-11-13-33-14-12-30/h2-3,5-6,8-10,15-17H,4,7,11-14H2,1H3
InChIKeyFEDMYQOPWJSQHU-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.01
Rot. Bonds4

About 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine

4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine (PubChem CID 122621977) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine
PubChem CID122621977
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine
SMILESCOc1ccccc1C1=CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C26H25N5O2/c1-32-23-8-3-2-5-20(23)21-6-4-7-22-25(21)31-17-18(9-10-24(31)29-22)19-15-27-26(28-16-19)30-11-13-33-14-12-30/h2-3,5-6,8-10,15-17H,4,7,11-14H2,1H3
InChIKeyFEDMYQOPWJSQHU-UHFFFAOYSA-N
XLogP4.01
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(3-methylphenyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol
CID 122622693
4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine
CID 135246902
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011453
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 786847
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 92628541
2-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-6-methylimidazo[1,2-a]pyridine
CID 132572546
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162638224

Frequently Asked Questions

What is the IUPAC name of 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine (CID 122621977) is 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine is COc1ccccc1C1=CCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21.
What is the InChIKey of 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine?
The InChIKey is FEDMYQOPWJSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-32-23-8-3-2-5-20(23)21-6-4-7-22-25(21)31-17-18(9-10-24(31)29-22)19-15-27-26(28-16-19)30-11-13-33-14-12-30/h2-3,5-6,8-10,15-17H,4,7,11-14H2,1H3.
What are the key properties of 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine?
4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine has a molecular weight of 439.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 122621977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).