1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one

C24H24ClF2N3O2 — CID 58393508

IUPAC1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(O[C@H]3c4cc(Cl)cc(F)c4C[C@@H]3NC3CCCC3)c(F)c2)c1=O
InChIInChI=1S/C24H24ClF2N3O2/c1-29-8-9-30(24(29)31)16-6-7-22(20(27)12-16)32-23-18-10-14(25)11-19(26)17(18)13-21(23)28-15-4-2-3-5-15/h6-12,15,21,23,28H,2-5,13H2,1H3/t21-,23-/m0/s1
InChIKeyAKCFBCMAPHKWNO-GMAHTHKFSA-N
MW459.92 g/mol
LogP4.68
Rot. Bonds5

About 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one

1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one (PubChem CID 58393508) has the molecular formula C24H24ClF2N3O2 and a molecular weight of 459.92 g/mol. Its IUPAC name is 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one
PubChem CID58393508
Molecular FormulaC24H24ClF2N3O2
Molecular Weight459.92 g/mol
Exact Mass459.15
IUPAC Name1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(O[C@H]3c4cc(Cl)cc(F)c4C[C@@H]3NC3CCCC3)c(F)c2)c1=O
InChIInChI=1S/C24H24ClF2N3O2/c1-29-8-9-30(24(29)31)16-6-7-22(20(27)12-16)32-23-18-10-14(25)11-19(26)17(18)13-21(23)28-15-4-2-3-5-15/h6-12,15,21,23,28H,2-5,13H2,1H3/t21-,23-/m0/s1
InChIKeyAKCFBCMAPHKWNO-GMAHTHKFSA-N
XLogP4.68
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.92
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one (CID 58393508) is 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one is Cn1ccn(-c2ccc(O[C@H]3c4cc(Cl)cc(F)c4C[C@@H]3NC3CCCC3)c(F)c2)c1=O.
What is the InChIKey of 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one?
The InChIKey is AKCFBCMAPHKWNO-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H24ClF2N3O2/c1-29-8-9-30(24(29)31)16-6-7-22(20(27)12-16)32-23-18-10-14(25)11-19(26)17(18)13-21(23)28-15-4-2-3-5-15/h6-12,15,21,23,28H,2-5,13H2,1H3/t21-,23-/m0/s1.
What are the key properties of 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one?
1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one has a molecular weight of 459.92 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1S,2S)-6-chloro-2-(cyclopentylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3-methylimidazol-2-one is sourced from PubChem (CID 58393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).