3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one

C24H30Cl2N4OS — CID 141251140

IUPAC3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one
SMILESCCC[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(S)N2)cc1
InChIInChI=1S/C24H30Cl2N4OS/c1-2-4-18-5-3-11-29(18)15-21-19(25)13-20(26)24(31)30(21)12-10-16-6-8-17(9-7-16)23-27-14-22(32)28-23/h6-9,13,18,22,32H,2-5,10-12,14-15H2,1H3,(H,27,28)/t18-,22?/m0/s1
InChIKeyYXGZFYYEGICXFN-HXBUSHRASA-N
MW493.50 g/mol
LogP4.77
Rot. Bonds8

About 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one

3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one (PubChem CID 141251140) has the molecular formula C24H30Cl2N4OS and a molecular weight of 493.50 g/mol. Its IUPAC name is 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one
PubChem CID141251140
Molecular FormulaC24H30Cl2N4OS
Molecular Weight493.50 g/mol
Exact Mass492.15
IUPAC Name3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one
SMILESCCC[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(S)N2)cc1
InChIInChI=1S/C24H30Cl2N4OS/c1-2-4-18-5-3-11-29(18)15-21-19(25)13-20(26)24(31)30(21)12-10-16-6-8-17(9-7-16)23-27-14-22(32)28-23/h6-9,13,18,22,32H,2-5,10-12,14-15H2,1H3,(H,27,28)/t18-,22?/m0/s1
InChIKeyYXGZFYYEGICXFN-HXBUSHRASA-N
XLogP4.77
TPSA49.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one (CID 141251140) is 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one is CCC[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(S)N2)cc1.
What is the InChIKey of 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one?
The InChIKey is YXGZFYYEGICXFN-HXBUSHRASA-N. The full InChI is InChI=1S/C24H30Cl2N4OS/c1-2-4-18-5-3-11-29(18)15-21-19(25)13-20(26)24(31)30(21)12-10-16-6-8-17(9-7-16)23-27-14-22(32)28-23/h6-9,13,18,22,32H,2-5,10-12,14-15H2,1H3,(H,27,28)/t18-,22?/m0/s1.
What are the key properties of 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one?
3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one has a molecular weight of 493.50 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]-1-[2-[4-(5-sulfanyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 141251140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).