(4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C13H16ClN3O2 — CID 71459851

IUPAC(4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCc1cc(Cl)ccc1CNC(=O)[C@@H]1CNC(=O)N1C
InChIInChI=1S/C13H16ClN3O2/c1-8-5-10(14)4-3-9(8)6-15-12(18)11-7-16-13(19)17(11)2/h3-5,11H,6-7H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyLWWWLOHYQUNRKJ-NSHDSACASA-N
MW281.74 g/mol
LogP1.29
Rot. Bonds3

About (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71459851) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71459851
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCc1cc(Cl)ccc1CNC(=O)[C@@H]1CNC(=O)N1C
InChIInChI=1S/C13H16ClN3O2/c1-8-5-10(14)4-3-9(8)6-15-12(18)11-7-16-13(19)17(11)2/h3-5,11H,6-7H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyLWWWLOHYQUNRKJ-NSHDSACASA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 71459851) is (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is Cc1cc(Cl)ccc1CNC(=O)[C@@H]1CNC(=O)N1C.
What is the InChIKey of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is LWWWLOHYQUNRKJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-5-10(14)4-3-9(8)6-15-12(18)11-7-16-13(19)17(11)2/h3-5,11H,6-7H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(4-chloro-2-methylphenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71459851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).