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

C14H19Cl2N3O2 — CID 89230147

IUPACN-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCC1=CC(Cl)CC(Cl)=C1CNC(=O)C1CN(C)C(=O)N1C
InChIInChI=1S/C14H19Cl2N3O2/c1-8-4-9(15)5-11(16)10(8)6-17-13(20)12-7-18(2)14(21)19(12)3/h4,9,12H,5-7H2,1-3H3,(H,17,20)
InChIKeyCDEIXDDLPQNASF-UHFFFAOYSA-N
MW332.23 g/mol
LogP1.92
Rot. Bonds3

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

N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 89230147) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID89230147
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCC1=CC(Cl)CC(Cl)=C1CNC(=O)C1CN(C)C(=O)N1C
InChIInChI=1S/C14H19Cl2N3O2/c1-8-4-9(15)5-11(16)10(8)6-17-13(20)12-7-18(2)14(21)19(12)3/h4,9,12H,5-7H2,1-3H3,(H,17,20)
InChIKeyCDEIXDDLPQNASF-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 89230147) is N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CC1=CC(Cl)CC(Cl)=C1CNC(=O)C1CN(C)C(=O)N1C.
What is the InChIKey of N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is CDEIXDDLPQNASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-8-4-9(15)5-11(16)10(8)6-17-13(20)12-7-18(2)14(21)19(12)3/h4,9,12H,5-7H2,1-3H3,(H,17,20).
What are the key properties of N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 332.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89230147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).