(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

C19H14N4O4 — CID 45138065

IUPAC(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1
InChIInChI=1S/C19H14N4O4/c24-18-16(20-19(25)21-18)9-13-11-22(17-4-2-1-3-15(13)17)10-12-5-7-14(8-6-12)23(26)27/h1-9,11H,10H2,(H2,20,21,24,25)/b16-9-
InChIKeyNQPSWIKWJRPNPV-SXGWCWSVSA-N
MW362.35 g/mol
LogP2.78
Rot. Bonds4

About (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 45138065) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
PubChem CID45138065
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1
InChIInChI=1S/C19H14N4O4/c24-18-16(20-19(25)21-18)9-13-11-22(17-4-2-1-3-15(13)17)10-12-5-7-14(8-6-12)23(26)27/h1-9,11H,10H2,(H2,20,21,24,25)/b16-9-
InChIKeyNQPSWIKWJRPNPV-SXGWCWSVSA-N
XLogP2.78
TPSA106.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,5-dione
CID 67698541
(5E)-3-(4-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126252642
1-[(4-nitrophenyl)methyl]indole-3-carbaldehyde
CID 883381
(5E)-3-(3-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44713962
(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
CID 930056
1-(2-fluorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3292219
(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126025581
5-nitro-6-[(E)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]ethenyl]-1H-pyrimidine-2,4-dione
CID 126331362
(5E)-1-(2-methoxyphenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126180702
(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 2584504
(5E)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872226
5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328991

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (CID 45138065) is (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1.
What is the InChIKey of (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is NQPSWIKWJRPNPV-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-18-16(20-19(25)21-18)9-13-11-22(17-4-2-1-3-15(13)17)10-12-5-7-14(8-6-12)23(26)27/h1-9,11H,10H2,(H2,20,21,24,25)/b16-9-.
What are the key properties of (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 362.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 45138065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).