1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one

C23H28N4O2 — CID 155490044

IUPAC1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one
SMILESCOc1cccc([C@@H](C)N2CCN(c3ccc4c(c3)CCC3NNCC43)C2=O)c1
InChIInChI=1S/C23H28N4O2/c1-15(16-4-3-5-19(13-16)29-2)26-10-11-27(23(26)28)18-7-8-20-17(12-18)6-9-22-21(20)14-24-25-22/h3-5,7-8,12-13,15,21-22,24-25H,6,9-11,14H2,1-2H3/t15-,21?,22?/m1/s1
InChIKeyAEHFVDVKADJEIA-IYJORBIASA-N
MW392.50 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one

1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one (PubChem CID 155490044) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one
PubChem CID155490044
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one
SMILESCOc1cccc([C@@H](C)N2CCN(c3ccc4c(c3)CCC3NNCC43)C2=O)c1
InChIInChI=1S/C23H28N4O2/c1-15(16-4-3-5-19(13-16)29-2)26-10-11-27(23(26)28)18-7-8-20-17(12-18)6-9-22-21(20)14-24-25-22/h3-5,7-8,12-13,15,21-22,24-25H,6,9-11,14H2,1-2H3/t15-,21?,22?/m1/s1
InChIKeyAEHFVDVKADJEIA-IYJORBIASA-N
XLogP3.20
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
CID 155490053
1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 155490045
1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one
CID 24952608
9-hydroxy-3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 160709287
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841
(5R)-5-[(S)-hydroxy-(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 135016515
1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 142637622
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
CID 65412498
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one (CID 155490044) is 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one is COc1cccc([C@@H](C)N2CCN(c3ccc4c(c3)CCC3NNCC43)C2=O)c1.
What is the InChIKey of 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one?
The InChIKey is AEHFVDVKADJEIA-IYJORBIASA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15(16-4-3-5-19(13-16)29-2)26-10-11-27(23(26)28)18-7-8-20-17(12-18)6-9-22-21(20)14-24-25-22/h3-5,7-8,12-13,15,21-22,24-25H,6,9-11,14H2,1-2H3/t15-,21?,22?/m1/s1.
What are the key properties of 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one?
1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 155490044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).