N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C23H22N4OS — CID 55457213

IUPACN-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H22N4OS/c1-29-16-22-26-20-9-5-6-10-21(20)27(22)15-23(28)25-19-13-11-18(12-14-19)24-17-7-3-2-4-8-17/h2-14,24H,15-16H2,1H3,(H,25,28)
InChIKeyPRFWNNNJGHOGJN-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.28
Rot. Bonds7

About N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 55457213) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID55457213
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H22N4OS/c1-29-16-22-26-20-9-5-6-10-21(20)27(22)15-23(28)25-19-13-11-18(12-14-19)24-17-7-3-2-4-8-17/h2-14,24H,15-16H2,1H3,(H,25,28)
InChIKeyPRFWNNNJGHOGJN-UHFFFAOYSA-N
XLogP5.28
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945
N,N-diethyl-4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 17467311
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215
2-methyl-2-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696565
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47016427
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55886959
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 26721864

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 55457213) is N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is PRFWNNNJGHOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-29-16-22-26-20-9-5-6-10-21(20)27(22)15-23(28)25-19-13-11-18(12-14-19)24-17-7-3-2-4-8-17/h2-14,24H,15-16H2,1H3,(H,25,28).
What are the key properties of N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 55457213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).