4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole

C16H19F2N3 — CID 103281474

IUPAC4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole
SMILESFc1ccc(F)c(C2CCN=C3NC4CCCCC4N32)c1
InChIInChI=1S/C16H19F2N3/c17-10-5-6-12(18)11(9-10)14-7-8-19-16-20-13-3-1-2-4-15(13)21(14)16/h5-6,9,13-15H,1-4,7-8H2,(H,19,20)
InChIKeyWSPCWLQUKFBDAC-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.98
Rot. Bonds1

About 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole

4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole (PubChem CID 103281474) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole
PubChem CID103281474
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole
SMILESFc1ccc(F)c(C2CCN=C3NC4CCCCC4N32)c1
InChIInChI=1S/C16H19F2N3/c17-10-5-6-12(18)11(9-10)14-7-8-19-16-20-13-3-1-2-4-15(13)21(14)16/h5-6,9,13-15H,1-4,7-8H2,(H,19,20)
InChIKeyWSPCWLQUKFBDAC-UHFFFAOYSA-N
XLogP2.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole
CID 103281447
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
(4aS,7aR)-4-(2,5-difluorophenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676052
5-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499543
2-(2,5-difluorophenyl)azepane-1-carbaldehyde
CID 176681918
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 174673090
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole (CID 103281474) is 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole is Fc1ccc(F)c(C2CCN=C3NC4CCCCC4N32)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole?
The InChIKey is WSPCWLQUKFBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-10-5-6-12(18)11(9-10)14-7-8-19-16-20-13-3-1-2-4-15(13)21(14)16/h5-6,9,13-15H,1-4,7-8H2,(H,19,20).
What are the key properties of 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole?
4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole has a molecular weight of 291.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2,3,4,5a,6,7,8,9,9a,10-decahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 103281474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).