1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione

C14H16IN3O2 — CID 70173090

IUPAC1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2ccccc2)C(=O)N1CCCCI
InChIInChI=1S/C14H16IN3O2/c15-8-4-5-9-17-13(19)11-18(14(17)20)16-10-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2/b16-10-
InChIKeySPKHRDVSKYRXSY-YBEGLDIGSA-N
MW385.21 g/mol
LogP2.50
Rot. Bonds6

About 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione

1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione (PubChem CID 70173090) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione
PubChem CID70173090
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2ccccc2)C(=O)N1CCCCI
InChIInChI=1S/C14H16IN3O2/c15-8-4-5-9-17-13(19)11-18(14(17)20)16-10-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2/b16-10-
InChIKeySPKHRDVSKYRXSY-YBEGLDIGSA-N
XLogP2.50
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione (CID 70173090) is 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione is O=C1CN(/N=C\c2ccccc2)C(=O)N1CCCCI.
What is the InChIKey of 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione?
The InChIKey is SPKHRDVSKYRXSY-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H16IN3O2/c15-8-4-5-9-17-13(19)11-18(14(17)20)16-10-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2/b16-10-.
What are the key properties of 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione?
1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione has a molecular weight of 385.21 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70173090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).