N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C13H17Cl2N3O2 — CID 89230192

IUPACN-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCC1=C(CNC(=O)C2CNC(=O)N2C)C(Cl)=CC(Cl)C1
InChIInChI=1S/C13H17Cl2N3O2/c1-7-3-8(14)4-10(15)9(7)5-16-12(19)11-6-17-13(20)18(11)2/h4,8,11H,3,5-6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyKFEZYZBSVAVHHZ-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.58
Rot. Bonds3

About N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 89230192) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID89230192
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCC1=C(CNC(=O)C2CNC(=O)N2C)C(Cl)=CC(Cl)C1
InChIInChI=1S/C13H17Cl2N3O2/c1-7-3-8(14)4-10(15)9(7)5-16-12(19)11-6-17-13(20)18(11)2/h4,8,11H,3,5-6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyKFEZYZBSVAVHHZ-UHFFFAOYSA-N
XLogP1.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide 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 N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 89230192) is N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CC1=C(CNC(=O)C2CNC(=O)N2C)C(Cl)=CC(Cl)C1.
What is the InChIKey of N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is KFEZYZBSVAVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-7-3-8(14)4-10(15)9(7)5-16-12(19)11-6-17-13(20)18(11)2/h4,8,11H,3,5-6H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89230192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).