(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone

C19H19FN2O — CID 110316313

IUPAC(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CC2CCCN2C1c1ccccc1
InChIInChI=1S/C19H19FN2O/c20-16-9-4-8-15(12-16)19(23)22-13-17-10-5-11-21(17)18(22)14-6-2-1-3-7-14/h1-4,6-9,12,17-18H,5,10-11,13H2
InChIKeySQCHUMIYFKSISK-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.44
Rot. Bonds2

About (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone

(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone (PubChem CID 110316313) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
PubChem CID110316313
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CC2CCCN2C1c1ccccc1
InChIInChI=1S/C19H19FN2O/c20-16-9-4-8-15(12-16)19(23)22-13-17-10-5-11-21(17)18(22)14-6-2-1-3-7-14/h1-4,6-9,12,17-18H,5,10-11,13H2
InChIKeySQCHUMIYFKSISK-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316317
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione
CID 110355075
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
2-(3-bromophenyl)-1-(3-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
CID 174931361
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone (CID 110316313) is (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone is O=C(c1cccc(F)c1)N1CC2CCCN2C1c1ccccc1.
What is the InChIKey of (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
The InChIKey is SQCHUMIYFKSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-16-9-4-8-15(12-16)19(23)22-13-17-10-5-11-21(17)18(22)14-6-2-1-3-7-14/h1-4,6-9,12,17-18H,5,10-11,13H2.
What are the key properties of (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone has a molecular weight of 310.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone is sourced from PubChem (CID 110316313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).