(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

C25H17ClFN3O2 — CID 1021155

IUPAC(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C25H17ClFN3O2/c26-18-7-5-8-19(13-18)30-24(31)22(28-25(30)32)12-17-15-29(23-11-4-2-9-20(17)23)14-16-6-1-3-10-21(16)27/h1-13,15H,14H2,(H,28,32)/b22-12+
InChIKeyMKRFQCCNCLCPQP-WSDLNYQXSA-N
MW445.88 g/mol
LogP5.58
Rot. Bonds4

About (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 1021155) has the molecular formula C25H17ClFN3O2 and a molecular weight of 445.88 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
PubChem CID1021155
Molecular FormulaC25H17ClFN3O2
Molecular Weight445.88 g/mol
Exact Mass445.10
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C25H17ClFN3O2/c26-18-7-5-8-19(13-18)30-24(31)22(28-25(30)32)12-17-15-29(23-11-4-2-9-20(17)23)14-16-6-1-3-10-21(16)27/h1-13,15H,14H2,(H,28,32)/b22-12+
InChIKeyMKRFQCCNCLCPQP-WSDLNYQXSA-N
XLogP5.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.88
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (CID 1021155) is (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is MKRFQCCNCLCPQP-WSDLNYQXSA-N. The full InChI is InChI=1S/C25H17ClFN3O2/c26-18-7-5-8-19(13-18)30-24(31)22(28-25(30)32)12-17-15-29(23-11-4-2-9-20(17)23)14-16-6-1-3-10-21(16)27/h1-13,15H,14H2,(H,28,32)/b22-12+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 445.88 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1021155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).