4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one

C20H22Cl2N4OS — CID 514426

IUPAC4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
SMILESCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(CNCc2ccncc2)n(C)c1=O
InChIInChI=1S/C20H22Cl2N4OS/c1-13(2)26-19(28-17-9-15(21)8-16(22)10-17)18(25(3)20(26)27)12-24-11-14-4-6-23-7-5-14/h4-10,13,24H,11-12H2,1-3H3
InChIKeyYNVAZPMOZJXYRH-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.91
Rot. Bonds7

About 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one

4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one (PubChem CID 514426) has the molecular formula C20H22Cl2N4OS and a molecular weight of 437.40 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
PubChem CID514426
Molecular FormulaC20H22Cl2N4OS
Molecular Weight437.40 g/mol
Exact Mass436.09
IUPAC Name4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
SMILESCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(CNCc2ccncc2)n(C)c1=O
InChIInChI=1S/C20H22Cl2N4OS/c1-13(2)26-19(28-17-9-15(21)8-16(22)10-17)18(25(3)20(26)27)12-24-11-14-4-6-23-7-5-14/h4-10,13,24H,11-12H2,1-3H3
InChIKeyYNVAZPMOZJXYRH-UHFFFAOYSA-N
XLogP4.91
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one with MolForge

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Related Compounds

1-(4-Chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-[1-(pyridin-4-YL)ethyl]urea
CID 3436079
1-Isopropyl-3-methyl-5-phenylsulfanyl-4-[(4-pyridylmethylamino)methyl]imidazol-2-one
CID 514428
4-(3,5-Dichlorophenyl)sulfanyl-1-ethyl-3-isopropyl-5-(4-pyridylmethyl)imidazol-2-one
CID 514437
5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-4-(4-pyridylmethyl)imidazol-2-one
CID 514438
[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methylurea
CID 514444
6-(3,5-Dichlorophenyl)sulfanyl-5-ethyl-1-(4-pyridylmethyl)pyrimidine-2,4-dione
CID 5279997
3-[(2-Chloro-4-pyridinyl)methyl]-4,4-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-2-one
CID 131981956
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 45831811
4-Cyclohexylsulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
CID 9969673
1-Benzyl-5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
CID 10184618
4-Benzylsulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
CID 10199930
4-(3-Chlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
CID 10201151

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one?
The IUPAC name of 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one (CID 514426) is 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one is CC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(CNCc2ccncc2)n(C)c1=O.
What is the InChIKey of 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one?
The InChIKey is YNVAZPMOZJXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4OS/c1-13(2)26-19(28-17-9-15(21)8-16(22)10-17)18(25(3)20(26)27)12-24-11-14-4-6-23-7-5-14/h4-10,13,24H,11-12H2,1-3H3.
What are the key properties of 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one?
4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one has a molecular weight of 437.40 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one is sourced from PubChem (CID 514426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).