(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione

C19H13ClF3N3O2 — CID 121403144

IUPAC(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C19H13ClF3N3O2/c20-12-3-1-2-11-10(7-24-17(11)12)6-14-18(27)26(19(28)25-14)8-9-4-5-13(21)16(23)15(9)22/h1-5,7,14,24H,6,8H2,(H,25,28)/t14-/m1/s1
InChIKeyBJNDHVYPPOLMLO-CQSZACIVSA-N
MW407.78 g/mol
LogP3.90
Rot. Bonds4

About (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione

(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 121403144) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID121403144
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C19H13ClF3N3O2/c20-12-3-1-2-11-10(7-24-17(11)12)6-14-18(27)26(19(28)25-14)8-9-4-5-13(21)16(23)15(9)22/h1-5,7,14,24H,6,8H2,(H,25,28)/t14-/m1/s1
InChIKeyBJNDHVYPPOLMLO-CQSZACIVSA-N
XLogP3.90
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 11288934
Necrostatin-1s
CID 643953
(5S)-5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 1550957
5-(1H-Indol-3-ylmethyl)-3-methyl-2,4-imidazolidinedione
CID 194580
5-(1h-Indol-3-ylmethyl)imidazolidine-2,4-dione
CID 242867
3-benzyl-5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 15288908
5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide
CID 134821715
2-[3-(4-Chloro-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-phenethyl-propionamide
CID 10457639
(5S)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde
CID 168281441
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3980485
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 4566027
5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 3928273

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione (CID 121403144) is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione is O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccc(F)c(F)c1F.
What is the InChIKey of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is BJNDHVYPPOLMLO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c20-12-3-1-2-11-10(7-24-17(11)12)6-14-18(27)26(19(28)25-14)8-9-4-5-13(21)16(23)15(9)22/h1-5,7,14,24H,6,8H2,(H,25,28)/t14-/m1/s1.
What are the key properties of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 407.78 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121403144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).