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

C19H14ClF2N3O2 — CID 145099585

IUPAC(5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H14ClF2N3O2/c20-13-3-1-2-12-11(8-23-17(12)13)7-16-18(26)25(19(27)24-16)9-10-4-5-14(21)15(22)6-10/h1-6,8,16,23H,7,9H2,(H,24,27)/t16-/m0/s1
InChIKeyVRGBEVHCMRHZDO-INIZCTEOSA-N
MW389.79 g/mol
LogP3.76
Rot. Bonds4

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

(5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 145099585) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID145099585
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name(5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H14ClF2N3O2/c20-13-3-1-2-12-11(8-23-17(12)13)7-16-18(26)25(19(27)24-16)9-10-4-5-14(21)15(22)6-10/h1-6,8,16,23H,7,9H2,(H,24,27)/t16-/m0/s1
InChIKeyVRGBEVHCMRHZDO-INIZCTEOSA-N
XLogP3.76
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione (CID 145099585) is (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione is O=C1N[C@@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is VRGBEVHCMRHZDO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c20-13-3-1-2-12-11(8-23-17(12)13)7-16-18(26)25(19(27)24-16)9-10-4-5-14(21)15(22)6-10/h1-6,8,16,23H,7,9H2,(H,24,27)/t16-/m0/s1.
What are the key properties of (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 389.79 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 145099585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).