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

C20H17ClFN3O2 — CID 121403191

IUPAC5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1F
InChIInChI=1S/C20H17ClFN3O2/c1-11-5-6-12(7-16(11)22)10-25-19(26)17(24-20(25)27)8-13-9-23-18-14(13)3-2-4-15(18)21/h2-7,9,17,23H,8,10H2,1H3,(H,24,27)
InChIKeyCALQTCURTMCODD-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.93
Rot. Bonds4

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

5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 121403191) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID121403191
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1F
InChIInChI=1S/C20H17ClFN3O2/c1-11-5-6-12(7-16(11)22)10-25-19(26)17(24-20(25)27)8-13-9-23-18-14(13)3-2-4-15(18)21/h2-7,9,17,23H,8,10H2,1H3,(H,24,27)
InChIKeyCALQTCURTMCODD-UHFFFAOYSA-N
XLogP3.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.93
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 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 121403191) is 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)NC(Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1F.
What is the InChIKey of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is CALQTCURTMCODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-11-5-6-12(7-16(11)22)10-25-19(26)17(24-20(25)27)8-13-9-23-18-14(13)3-2-4-15(18)21/h2-7,9,17,23H,8,10H2,1H3,(H,24,27).
What are the key properties of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione?
5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 385.83 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121403191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).