1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

C17H13F3N4O — CID 930207

IUPAC1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(N2CCOCC2)n2c1nc1ccccc12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)12-9-15(23-5-7-25-8-6-23)24-14-4-2-1-3-13(14)22-16(24)11(12)10-21/h1-4,9H,5-8H2
InChIKeyYTWUAGBMZFRMII-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.21
Rot. Bonds1

About 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 930207) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID930207
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(N2CCOCC2)n2c1nc1ccccc12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)12-9-15(23-5-7-25-8-6-23)24-14-4-2-1-3-13(14)22-16(24)11(12)10-21/h1-4,9H,5-8H2
InChIKeyYTWUAGBMZFRMII-UHFFFAOYSA-N
XLogP3.21
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 930207) is 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is N#Cc1c(C(F)(F)F)cc(N2CCOCC2)n2c1nc1ccccc12.
What is the InChIKey of 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is YTWUAGBMZFRMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)12-9-15(23-5-7-25-8-6-23)24-14-4-2-1-3-13(14)22-16(24)11(12)10-21/h1-4,9H,5-8H2.
What are the key properties of 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 346.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 930207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).