FVV

10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole

Created: 2018-04-22
Last modified:  2019-03-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count40
Aromatic Bond Count12
2D diagram of FVV

Chemical Component Summary

Name10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
Systematic Name (OpenEye OEToolkits)10-[(4-fluorophenyl)methyl]-3,4-dihydro-2~{H}-pyrimido[1,2-a]benzimidazole
FormulaC17 H16 F N3
Molecular Weight281.327
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F
SMILESCACTVS3.385Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F
Canonical SMILESCACTVS3.385 Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F
InChIInChI1.03 InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2
InChIKeyInChI1.03 LXOFDRFYSDHQTI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 883012
ChEMBL CHEMBL1624889