N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide

C24H23N3O2S — CID 1486493

IUPACN-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(CSc3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2S/c1-17-7-13-20(14-8-17)30-16-23-26-21-5-3-4-6-22(21)27(23)15-24(28)25-18-9-11-19(29-2)12-10-18/h3-14H,15-16H2,1-2H3,(H,25,28)
InChIKeyPHSLLWUFGHTARB-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.28
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide

N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide (PubChem CID 1486493) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide
PubChem CID1486493
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(CSc3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2S/c1-17-7-13-20(14-8-17)30-16-23-26-21-5-3-4-6-22(21)27(23)15-24(28)25-18-9-11-19(29-2)12-10-18/h3-14H,15-16H2,1-2H3,(H,25,28)
InChIKeyPHSLLWUFGHTARB-UHFFFAOYSA-N
XLogP5.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(3,5-dimethoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347508
N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689683
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
N-[[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029468
2-[2-[(4-chlorophenyl)sulfanylmethyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1486623
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51066936
N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032268

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide (CID 1486493) is N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(CSc3ccc(C)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide?
The InChIKey is PHSLLWUFGHTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-17-7-13-20(14-8-17)30-16-23-26-21-5-3-4-6-22(21)27(23)15-24(28)25-18-9-11-19(29-2)12-10-18/h3-14H,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1486493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).