(5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

C16H15N5O4 — CID 135499602

IUPAC(5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=N\c2nc(Cc3ccc4c(c3)OCO4)cn2C)C1=O
InChIInChI=1S/C16H15N5O4/c1-20-7-10(5-9-3-4-11-12(6-9)25-8-24-11)17-15(20)18-13-14(22)21(2)16(23)19-13/h3-4,6-7H,5,8H2,1-2H3,(H,17,18,19,23)
InChIKeyDNQGARKMDHLOGM-UHFFFAOYSA-N
MW341.33 g/mol
LogP0.95
Rot. Bonds3

About (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

(5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135499602) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID135499602
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name(5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=N\c2nc(Cc3ccc4c(c3)OCO4)cn2C)C1=O
InChIInChI=1S/C16H15N5O4/c1-20-7-10(5-9-3-4-11-12(6-9)25-8-24-11)17-15(20)18-13-14(22)21(2)16(23)19-13/h3-4,6-7H,5,8H2,1-2H3,(H,17,18,19,23)
InChIKeyDNQGARKMDHLOGM-UHFFFAOYSA-N
XLogP0.95
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135499602) is (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is CN1C(=O)N/C(=N\c2nc(Cc3ccc4c(c3)OCO4)cn2C)C1=O.
What is the InChIKey of (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The InChIKey is DNQGARKMDHLOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-20-7-10(5-9-3-4-11-12(6-9)25-8-24-11)17-15(20)18-13-14(22)21(2)16(23)19-13/h3-4,6-7H,5,8H2,1-2H3,(H,17,18,19,23).
What are the key properties of (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
(5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 341.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135499602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).