1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one

C24H25Cl2N3O3 — CID 58393680

IUPAC1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one
SMILESCc1c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)cccc1-n1ccn(C)c1=O
InChIInChI=1S/C24H25Cl2N3O3/c1-14-20(29-9-8-27(2)24(29)31)4-3-5-22(14)32-23-18-10-15(25)11-19(26)17(18)12-21(23)28-7-6-16(30)13-28/h3-5,8-11,16,21,23,30H,6-7,12-13H2,1-2H3/t16-,21+,23+/m1/s1
InChIKeyJVQFAIYUNGDKAK-HNKPZJSLSA-N
MW474.39 g/mol
LogP3.90
Rot. Bonds4

About 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one

1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one (PubChem CID 58393680) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one
PubChem CID58393680
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC Name1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one
SMILESCc1c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)cccc1-n1ccn(C)c1=O
InChIInChI=1S/C24H25Cl2N3O3/c1-14-20(29-9-8-27(2)24(29)31)4-3-5-22(14)32-23-18-10-15(25)11-19(26)17(18)12-21(23)28-7-6-16(30)13-28/h3-5,8-11,16,21,23,30H,6-7,12-13H2,1-2H3/t16-,21+,23+/m1/s1
InChIKeyJVQFAIYUNGDKAK-HNKPZJSLSA-N
XLogP3.90
TPSA59.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one (CID 58393680) is 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one is Cc1c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)cccc1-n1ccn(C)c1=O.
What is the InChIKey of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one?
The InChIKey is JVQFAIYUNGDKAK-HNKPZJSLSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c1-14-20(29-9-8-27(2)24(29)31)4-3-5-22(14)32-23-18-10-15(25)11-19(26)17(18)12-21(23)28-7-6-16(30)13-28/h3-5,8-11,16,21,23,30H,6-7,12-13H2,1-2H3/t16-,21+,23+/m1/s1.
What are the key properties of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one?
1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one has a molecular weight of 474.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one is sourced from PubChem (CID 58393680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).