3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one

C24H28Cl2N4O2 — CID 141251145

IUPAC3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one
SMILESCCC[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(=O)N2)cc1
InChIInChI=1S/C24H28Cl2N4O2/c1-2-4-18-5-3-11-29(18)15-21-19(25)13-20(26)24(32)30(21)12-10-16-6-8-17(9-7-16)23-27-14-22(31)28-23/h6-9,13,18H,2-5,10-12,14-15H2,1H3,(H,27,28,31)/t18-/m0/s1
InChIKeyCGCIWXDIBXVCOY-SFHVURJKSA-N
MW475.42 g/mol
LogP4.04
Rot. Bonds8

About 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one

3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one (PubChem CID 141251145) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one
PubChem CID141251145
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC Name3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one
SMILESCCC[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(=O)N2)cc1
InChIInChI=1S/C24H28Cl2N4O2/c1-2-4-18-5-3-11-29(18)15-21-19(25)13-20(26)24(32)30(21)12-10-16-6-8-17(9-7-16)23-27-14-22(31)28-23/h6-9,13,18H,2-5,10-12,14-15H2,1H3,(H,27,28,31)/t18-/m0/s1
InChIKeyCGCIWXDIBXVCOY-SFHVURJKSA-N
XLogP4.04
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one (CID 141251145) is 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one is CCC[C@H]1CCCN1Cc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C2=NCC(=O)N2)cc1.
What is the InChIKey of 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one?
The InChIKey is CGCIWXDIBXVCOY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2/c1-2-4-18-5-3-11-29(18)15-21-19(25)13-20(26)24(32)30(21)12-10-16-6-8-17(9-7-16)23-27-14-22(31)28-23/h6-9,13,18H,2-5,10-12,14-15H2,1H3,(H,27,28,31)/t18-/m0/s1.
What are the key properties of 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one?
3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one has a molecular weight of 475.42 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[2-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]ethyl]-6-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 141251145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).