3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide

C24H20ClF3N4OS — CID 141097570

IUPAC3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
SMILESCC1=CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccnc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C24H20ClF3N4OS/c1-16-13-32(20-5-7-21(8-6-20)34-24(26,27)28)15-31(16)14-17-9-10-29-22(11-17)30-23(33)18-3-2-4-19(25)12-18/h2-13H,14-15H2,1H3,(H,29,30,33)
InChIKeyHYIOXTZPJFUVIU-UHFFFAOYSA-N
MW504.97 g/mol
LogP6.74
Rot. Bonds6

About 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide

3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide (PubChem CID 141097570) has the molecular formula C24H20ClF3N4OS and a molecular weight of 504.97 g/mol. Its IUPAC name is 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
PubChem CID141097570
Molecular FormulaC24H20ClF3N4OS
Molecular Weight504.97 g/mol
Exact Mass504.10
IUPAC Name3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
SMILESCC1=CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccnc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C24H20ClF3N4OS/c1-16-13-32(20-5-7-21(8-6-20)34-24(26,27)28)15-31(16)14-17-9-10-29-22(11-17)30-23(33)18-3-2-4-19(25)12-18/h2-13H,14-15H2,1H3,(H,29,30,33)
InChIKeyHYIOXTZPJFUVIU-UHFFFAOYSA-N
XLogP6.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
CID 141097511
1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea
CID 141097717
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea
CID 90924951
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
CID 91282632
4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 91426433
N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 89013277
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
phenyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90897394
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91310662
N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
CID 141097427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide (CID 141097570) is 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide is CC1=CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccnc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?
The InChIKey is HYIOXTZPJFUVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4OS/c1-16-13-32(20-5-7-21(8-6-20)34-24(26,27)28)15-31(16)14-17-9-10-29-22(11-17)30-23(33)18-3-2-4-19(25)12-18/h2-13H,14-15H2,1H3,(H,29,30,33).
What are the key properties of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?
3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide has a molecular weight of 504.97 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 141097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).