(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione

C19H12ClF4N3O2 — CID 121403158

IUPAC(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12ClF4N3O2/c20-14-11(21)4-2-10-9(6-25-17(10)14)5-13-18(28)27(19(29)26-13)7-8-1-3-12(22)16(24)15(8)23/h1-4,6,13,25H,5,7H2,(H,26,29)/t13-/m1/s1
InChIKeyNOXQZLQWCIBDEC-CYBMUJFWSA-N
MW425.77 g/mol
LogP4.04
Rot. Bonds4

About (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 121403158) has the molecular formula C19H12ClF4N3O2 and a molecular weight of 425.77 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID121403158
Molecular FormulaC19H12ClF4N3O2
Molecular Weight425.77 g/mol
Exact Mass425.06
IUPAC Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12ClF4N3O2/c20-14-11(21)4-2-10-9(6-25-17(10)14)5-13-18(28)27(19(29)26-13)7-8-1-3-12(22)16(24)15(8)23/h1-4,6,13,25H,5,7H2,(H,26,29)/t13-/m1/s1
InChIKeyNOXQZLQWCIBDEC-CYBMUJFWSA-N
XLogP4.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.77
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione (CID 121403158) is (5R)-5-[(7-chloro-6-fluoro-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-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione is O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)c(F)c1F.
What is the InChIKey of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is NOXQZLQWCIBDEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H12ClF4N3O2/c20-14-11(21)4-2-10-9(6-25-17(10)14)5-13-18(28)27(19(29)26-13)7-8-1-3-12(22)16(24)15(8)23/h1-4,6,13,25H,5,7H2,(H,26,29)/t13-/m1/s1.
What are the key properties of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 425.77 g/mol, XLogP of 4.04, 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-6-fluoro-1H-indol-3-yl)methyl]-3-[(2,3,4-trifluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121403158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).