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

C20H22N2O2 — CID 110316317

IUPAC(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CC3CCCN3C2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-24-18-11-9-16(10-12-18)20(23)22-14-17-8-5-13-21(17)19(22)15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19H,5,8,13-14H2,1H3
InChIKeyJENNAUNCMDGRRC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.31
Rot. Bonds3

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

(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone (PubChem CID 110316317) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
PubChem CID110316317
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CC3CCCN3C2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-24-18-11-9-16(10-12-18)20(23)22-14-17-8-5-13-21(17)19(22)15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19H,5,8,13-14H2,1H3
InChIKeyJENNAUNCMDGRRC-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(4-methylphenoxy)-1-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)ethanone
CID 110316341
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione
CID 110355075
(4-methoxyphenyl)-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740536
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
(4-methoxyphenyl)-(3-methyl-2-phenylmorpholin-4-yl)methanone
CID 110728442
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide
CID 174675557
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone (CID 110316317) is (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone is COc1ccc(C(=O)N2CC3CCCN3C2c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
The InChIKey is JENNAUNCMDGRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-18-11-9-16(10-12-18)20(23)22-14-17-8-5-13-21(17)19(22)15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19H,5,8,13-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone?
(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone is sourced from PubChem (CID 110316317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).