2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide

C26H25ClN4OS — CID 23970321

IUPAC2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide
SMILESCCC(Sc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C26H25ClN4OS/c1-4-21(25(32)29-22-14-13-20(27)15-28-22)33-26-30-23(18-9-5-16(2)6-10-18)24(31-26)19-11-7-17(3)8-12-19/h5-15,21H,4H2,1-3H3,(H,30,31)(H,28,29,32)
InChIKeyJYQILZVJFSODFT-UHFFFAOYSA-N
MW477.03 g/mol
LogP6.92
Rot. Bonds7

About 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide (PubChem CID 23970321) has the molecular formula C26H25ClN4OS and a molecular weight of 477.03 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide.

Molecular Properties

Compound Name2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide
PubChem CID23970321
Molecular FormulaC26H25ClN4OS
Molecular Weight477.03 g/mol
Exact Mass476.14
IUPAC Name2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide
SMILESCCC(Sc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C26H25ClN4OS/c1-4-21(25(32)29-22-14-13-20(27)15-28-22)33-26-30-23(18-9-5-16(2)6-10-18)24(31-26)19-11-7-17(3)8-12-19/h5-15,21H,4H2,1-3H3,(H,30,31)(H,28,29,32)
InChIKeyJYQILZVJFSODFT-UHFFFAOYSA-N
XLogP6.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.03
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide with MolForge

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Related Compounds

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886331
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
CID 23886348
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)butanamide
CID 23772258
2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide
CID 23886369
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
CID 23914464
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
CID 23801442
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25043711
N-(1,3-benzodioxol-5-yl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanamide
CID 23970318
N-(5-chloro-2-pyridinyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
CID 23885624
(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 2560083
ethyl 4-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate
CID 23886555

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide?
The IUPAC name of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide (CID 23970321) is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide.
What is the SMILES notation for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide?
The canonical SMILES for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide is CCC(Sc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide?
The InChIKey is JYQILZVJFSODFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4OS/c1-4-21(25(32)29-22-14-13-20(27)15-28-22)33-26-30-23(18-9-5-16(2)6-10-18)24(31-26)19-11-7-17(3)8-12-19/h5-15,21H,4H2,1-3H3,(H,30,31)(H,28,29,32).
What are the key properties of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide?
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide has a molecular weight of 477.03 g/mol, XLogP of 6.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide is sourced from PubChem (CID 23970321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).