(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide

C18H18Cl2N4O2 — CID 52949177

IUPAC(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1ncccc1N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O
InChIInChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyICWRCRSAONKLSI-INIZCTEOSA-N
MW393.27 g/mol
LogP3.25
Rot. Bonds4

About (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 52949177) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID52949177
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1ncccc1N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O
InChIInChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyICWRCRSAONKLSI-INIZCTEOSA-N
XLogP3.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-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

Related Compounds

3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
1-(2-chlorobenzyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2186482
1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 2998654
N-(3-chlorophenyl)-N'-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
CID 3236766
2-{3-[(3-Chlorophenyl)methyl]-2-oxoimidazolidin-1-YL}-N-[(pyridin-2-YL)methyl]acetamide
CID 9550786
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(2-pyridinyl)ethyl]acetamide
CID 16192304
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 24325234
1-(6-Chloro-pyridin-3-yl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 44356645
(R)-1-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlorophenyl)propanoyl)piperazin-1-yl)pyridin-3-yl)methyl)-3-phenylurea
CID 44413056
N-(2,4-dichlorobenzyl)-4-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperazine-1-carboxamide
CID 45271633
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52943071

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide (CID 52949177) is (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide is Cc1ncccc1N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O.
What is the InChIKey of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is ICWRCRSAONKLSI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 52949177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).