2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide

C16H14BrN3OS — CID 8713802

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
SMILESO=C(CSCc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3OS/c17-11-5-7-12(8-6-11)18-16(21)10-22-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyAJWYACDWZZSWFQ-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.20
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide (PubChem CID 8713802) has the molecular formula C16H14BrN3OS and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
PubChem CID8713802
Molecular FormulaC16H14BrN3OS
Molecular Weight376.28 g/mol
Exact Mass375.00
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
SMILESO=C(CSCc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3OS/c17-11-5-7-12(8-6-11)18-16(21)10-22-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyAJWYACDWZZSWFQ-UHFFFAOYSA-N
XLogP4.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-chlorophenyl)acetamide
CID 8762462
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 583439
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
CID 847863
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8761822
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 1231029
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
CID 2644334
2-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]-1H-benzimidazole
CID 13163511
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 56786848
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide (CID 8713802) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide is O=C(CSCc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide?
The InChIKey is AJWYACDWZZSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3OS/c17-11-5-7-12(8-6-11)18-16(21)10-22-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide has a molecular weight of 376.28 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 8713802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).