N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C17H16BrN3OS — CID 40723945

IUPACN-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H16BrN3OS/c1-23-11-16-20-14-7-2-3-8-15(14)21(16)10-17(22)19-13-6-4-5-12(18)9-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyAGADHNRKRHFYCD-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.30
Rot. Bonds5

About N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 40723945) has the molecular formula C17H16BrN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID40723945
Molecular FormulaC17H16BrN3OS
Molecular Weight390.31 g/mol
Exact Mass389.02
IUPAC NameN-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H16BrN3OS/c1-23-11-16-20-14-7-2-3-8-15(14)21(16)10-17(22)19-13-6-4-5-12(18)9-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyAGADHNRKRHFYCD-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55886959
N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031923
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 25442102
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 26721864
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
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47016427

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 40723945) is N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is AGADHNRKRHFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3OS/c1-23-11-16-20-14-7-2-3-8-15(14)21(16)10-17(22)19-13-6-4-5-12(18)9-13/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 390.31 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 40723945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).