5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile

C20H22N4O3 — CID 2974462

IUPAC5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(=O)n2c3ccccc3n(CC(O)CN3CCOCC3)c2c1C#N
InChIInChI=1S/C20H22N4O3/c1-14-10-19(26)24-18-5-3-2-4-17(18)23(20(24)16(14)11-21)13-15(25)12-22-6-8-27-9-7-22/h2-5,10,15,25H,6-9,12-13H2,1H3
InChIKeyKFGWRNFKYNDNAM-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.13
Rot. Bonds4

About 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile

5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 2974462) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID2974462
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(=O)n2c3ccccc3n(CC(O)CN3CCOCC3)c2c1C#N
InChIInChI=1S/C20H22N4O3/c1-14-10-19(26)24-18-5-3-2-4-17(18)23(20(24)16(14)11-21)13-15(25)12-22-6-8-27-9-7-22/h2-5,10,15,25H,6-9,12-13H2,1H3
InChIKeyKFGWRNFKYNDNAM-UHFFFAOYSA-N
XLogP1.13
TPSA82.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile (CID 2974462) is 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(=O)n2c3ccccc3n(CC(O)CN3CCOCC3)c2c1C#N.
What is the InChIKey of 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is KFGWRNFKYNDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-10-19(26)24-18-5-3-2-4-17(18)23(20(24)16(14)11-21)13-15(25)12-22-6-8-27-9-7-22/h2-5,10,15,25H,6-9,12-13H2,1H3.
What are the key properties of 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 366.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 2974462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).