(3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone

C19H18F2N2O — CID 22172554

IUPAC(3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)C1N(c2ccccc2)CC2CCCN21
InChIInChI=1S/C19H18F2N2O/c20-16-9-8-13(11-17(16)21)18(24)19-22-10-4-7-15(22)12-23(19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2
InChIKeyRPCZGNDQYOBNFW-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.46
Rot. Bonds3

About (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone

(3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone (PubChem CID 22172554) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone
PubChem CID22172554
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name(3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)C1N(c2ccccc2)CC2CCCN21
InChIInChI=1S/C19H18F2N2O/c20-16-9-8-13(11-17(16)21)18(24)19-22-10-4-7-15(22)12-23(19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2
InChIKeyRPCZGNDQYOBNFW-UHFFFAOYSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-3-carboxylate
CID 22172549
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
butyl 2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-3-carboxylate
CID 13025491
2-[1-(3,4-difluorobenzoyl)piperidine-3-carbonyl]benzonitrile
CID 146544083
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3,4-difluorophenyl)ethanone
CID 79943652
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316313
3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid
CID 67482893
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
(4-chlorophenyl)-(1,3-dihydroxy-2-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[3,4-a]pyrrolizin-4-yl)methanone
CID 91896951

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone (CID 22172554) is (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone is O=C(c1ccc(F)c(F)c1)C1N(c2ccccc2)CC2CCCN21.
What is the InChIKey of (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone?
The InChIKey is RPCZGNDQYOBNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c20-16-9-8-13(11-17(16)21)18(24)19-22-10-4-7-15(22)12-23(19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2.
What are the key properties of (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone?
(3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone has a molecular weight of 328.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl)methanone is sourced from PubChem (CID 22172554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).