N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide

C24H23N3O2S — CID 1269715

IUPACN-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
SMILESCOc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)[nH]c2c1
InChIInChI=1S/C24H23N3O2S/c1-15-4-10-20(16(2)12-15)25-23(28)18-7-5-17(6-8-18)14-30-24-26-21-11-9-19(29-3)13-22(21)27-24/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBNETWLYBERUAJQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.73
Rot. Bonds6

About N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide

N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 1269715) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
PubChem CID1269715
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
SMILESCOc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)[nH]c2c1
InChIInChI=1S/C24H23N3O2S/c1-15-4-10-20(16(2)12-15)25-23(28)18-7-5-17(6-8-18)14-30-24-26-21-11-9-19(29-3)13-22(21)27-24/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBNETWLYBERUAJQ-UHFFFAOYSA-N
XLogP5.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
CID 10295050
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353
4-N-(2,4-dimethylphenyl)-5-N-(6-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984419
2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16504539
N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 2522571
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-propylphenyl)ethanone
CID 7225507
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)benzamide
CID 4020876
4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7152421
N-(2,4-dimethylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234506

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide (CID 1269715) is N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide is COc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)[nH]c2c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is BNETWLYBERUAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15-4-10-20(16(2)12-15)25-23(28)18-7-5-17(6-8-18)14-30-24-26-21-11-9-19(29-3)13-22(21)27-24/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 1269715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).