3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

C17H16N4O2 — CID 2440065

IUPAC3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(CN2CCOCC2)cc(=O)n2c1[nH]c1ccccc12
InChIInChI=1S/C17H16N4O2/c18-10-13-12(11-20-5-7-23-8-6-20)9-16(22)21-15-4-2-1-3-14(15)19-17(13)21/h1-4,9,19H,5-8,11H2
InChIKeyZXRDXHHOVQTJGE-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.48
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 2440065) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID2440065
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(CN2CCOCC2)cc(=O)n2c1[nH]c1ccccc12
InChIInChI=1S/C17H16N4O2/c18-10-13-12(11-20-5-7-23-8-6-20)9-16(22)21-15-4-2-1-3-14(15)19-17(13)21/h1-4,9,19H,5-8,11H2
InChIKeyZXRDXHHOVQTJGE-UHFFFAOYSA-N
XLogP1.48
TPSA73.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 2440065) is 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile is N#Cc1c(CN2CCOCC2)cc(=O)n2c1[nH]c1ccccc12.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is ZXRDXHHOVQTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-10-13-12(11-20-5-7-23-8-6-20)9-16(22)21-15-4-2-1-3-14(15)19-17(13)21/h1-4,9,19H,5-8,11H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 2440065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).