2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C18H17ClN2O — CID 5308786

IUPAC2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c19-14-8-4-9-15(12-14)21-17(13-6-2-1-3-7-13)20-11-5-10-16(20)18(21)22/h1-4,6-9,12,16-17H,5,10-11H2
InChIKeyNHVRTRGYNRHACY-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 5308786) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID5308786
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c19-14-8-4-9-15(12-14)21-17(13-6-2-1-3-7-13)20-11-5-10-16(20)18(21)22/h1-4,6-9,12,16-17H,5,10-11H2
InChIKeyNHVRTRGYNRHACY-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-3-[2-(pyrrolidin-1-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 10323169
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-p-tolylpyrrolidine-1,2-dicarboxamide
CID 25233579
1-Benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 73012381
Pyrrolidine-1,2-dicarboxylic acid 1-[(4-chloro-phenyl)-amide] 2-(phenethyl-amide)
CID 3219673
2-(4-chlorophenyl)-3-phenylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3239489
1-(4-chlorobenzyl)-3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 3243556
2-(3-Chloro-phenyl)-3-phenyl-tetrahydro-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 3514222
2-[2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 4381821
2-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5307424
2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5307876
2-(3-chlorophenyl)-3-(2-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308424
3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5309937

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 5308786) is 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccccc2)N1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is NHVRTRGYNRHACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-14-8-4-9-15(12-14)21-17(13-6-2-1-3-7-13)20-11-5-10-16(20)18(21)22/h1-4,6-9,12,16-17H,5,10-11H2.
What are the key properties of 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 312.80 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 5308786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).