(4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C14H18ClN3O2 — CID 71454385

IUPAC(4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCc1cc(Cl)ccc1CNC(=O)[C@@H]1CN(C)C(=O)N1C
InChIInChI=1S/C14H18ClN3O2/c1-9-6-11(15)5-4-10(9)7-16-13(19)12-8-17(2)14(20)18(12)3/h4-6,12H,7-8H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyNPYYIDZLNANYJS-LBPRGKRZSA-N
MW295.77 g/mol
LogP1.63
Rot. Bonds3

About (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71454385) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71454385
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name(4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCc1cc(Cl)ccc1CNC(=O)[C@@H]1CN(C)C(=O)N1C
InChIInChI=1S/C14H18ClN3O2/c1-9-6-11(15)5-4-10(9)7-16-13(19)12-8-17(2)14(20)18(12)3/h4-6,12H,7-8H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyNPYYIDZLNANYJS-LBPRGKRZSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71454385) is (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is Cc1cc(Cl)ccc1CNC(=O)[C@@H]1CN(C)C(=O)N1C.
What is the InChIKey of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is NPYYIDZLNANYJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-6-11(15)5-4-10(9)7-16-13(19)12-8-17(2)14(20)18(12)3/h4-6,12H,7-8H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(4-chloro-2-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71454385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).