4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C12H14ClN3O2 — CID 175417360

IUPAC4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(N)=O)(c2ccc(Cl)cc2)N(C)C1=O
InChIInChI=1S/C12H14ClN3O2/c1-15-7-12(10(14)17,16(2)11(15)18)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H2,14,17)
InChIKeyWAJFUTKMQPHBES-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.02
Rot. Bonds2

About 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 175417360) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID175417360
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(N)=O)(c2ccc(Cl)cc2)N(C)C1=O
InChIInChI=1S/C12H14ClN3O2/c1-15-7-12(10(14)17,16(2)11(15)18)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H2,14,17)
InChIKeyWAJFUTKMQPHBES-UHFFFAOYSA-N
XLogP1.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 175417360) is 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(N)=O)(c2ccc(Cl)cc2)N(C)C1=O.
What is the InChIKey of 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is WAJFUTKMQPHBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-15-7-12(10(14)17,16(2)11(15)18)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H2,14,17).
What are the key properties of 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 175417360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).