3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione

C22H17F6N3O2 — CID 10073370

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H17F6N3O2/c1-30-18(8-13-10-29-17-5-3-2-4-16(13)17)19(32)31(20(30)33)11-12-6-14(21(23,24)25)9-15(7-12)22(26,27)28/h2-7,9-10,18,29H,8,11H2,1H3
InChIKeyICBSQYXTXCHQCY-UHFFFAOYSA-N
MW469.39 g/mol
LogP5.21
Rot. Bonds4

About 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione

3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione (PubChem CID 10073370) has the molecular formula C22H17F6N3O2 and a molecular weight of 469.39 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione
PubChem CID10073370
Molecular FormulaC22H17F6N3O2
Molecular Weight469.39 g/mol
Exact Mass469.12
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H17F6N3O2/c1-30-18(8-13-10-29-17-5-3-2-4-16(13)17)19(32)31(20(30)33)11-12-6-14(21(23,24)25)9-15(7-12)22(26,27)28/h2-7,9-10,18,29H,8,11H2,1H3
InChIKeyICBSQYXTXCHQCY-UHFFFAOYSA-N
XLogP5.21
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 11744729
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 90443800
2-[3,5-bis(trifluoromethyl)phenyl]-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one
CID 85307010
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
[(2R)-4-benzyl-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 54406912
4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]butan-2-one
CID 21041077
5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
CID 167774874
[3,5-bis(trifluoromethyl)phenyl]-[6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 85070946
N-[5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-3-piperidin-1-ylpropanamide
CID 15238192

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione (CID 10073370) is 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione is CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is ICBSQYXTXCHQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N3O2/c1-30-18(8-13-10-29-17-5-3-2-4-16(13)17)19(32)31(20(30)33)11-12-6-14(21(23,24)25)9-15(7-12)22(26,27)28/h2-7,9-10,18,29H,8,11H2,1H3.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione?
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 469.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 10073370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).