N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide

C24H23FN4O2S — CID 46347635

IUPACN-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCOc1c(C)cnc(Cn2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc32)c1C
InChIInChI=1S/C24H23FN4O2S/c1-15-12-26-20(16(2)23(15)31-3)13-29-21-7-5-4-6-19(21)28-24(29)32-14-22(30)27-18-10-8-17(25)9-11-18/h4-12H,13-14H2,1-3H3,(H,27,30)
InChIKeyWHTMMHHCUJVYFR-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.97
Rot. Bonds7

About N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide (PubChem CID 46347635) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide
PubChem CID46347635
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC NameN-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCOc1c(C)cnc(Cn2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc32)c1C
InChIInChI=1S/C24H23FN4O2S/c1-15-12-26-20(16(2)23(15)31-3)13-29-21-7-5-4-6-19(21)28-24(29)32-14-22(30)27-18-10-8-17(25)9-11-18/h4-12H,13-14H2,1-3H3,(H,27,30)
InChIKeyWHTMMHHCUJVYFR-UHFFFAOYSA-N
XLogP4.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol
CID 14877893
2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazole
CID 86745701
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944
N-(3,5-dimethoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347508
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 43814540
[2-(3-methoxyanilino)-2-oxoethyl] 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 46267794
N-(3,4-dimethoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46860855

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide (CID 46347635) is N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide is COc1c(C)cnc(Cn2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc32)c1C.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is WHTMMHHCUJVYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-15-12-26-20(16(2)23(15)31-3)13-29-21-7-5-4-6-19(21)28-24(29)32-14-22(30)27-18-10-8-17(25)9-11-18/h4-12H,13-14H2,1-3H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 450.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 46347635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).