2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide

C15H12BrN3OS — CID 17246536

IUPAC2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccccc1
InChIInChI=1S/C15H12BrN3OS/c16-10-6-7-12-13(8-10)19-15(18-12)21-9-14(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyHZBDAIAJYUMOKM-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.06
Rot. Bonds4

About 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide

2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 17246536) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID17246536
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccccc1
InChIInChI=1S/C15H12BrN3OS/c16-10-6-7-12-13(8-10)19-15(18-12)21-9-14(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyHZBDAIAJYUMOKM-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 17246556
N'-[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 17246584
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide
CID 17246561
ethyl 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 17246559
N-(4-bromophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide;hydrochloride
CID 163325535
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
N-(4-chlorophenyl)-2-[(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 86280773
N-(4-phenoxyphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
CID 86282679
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide (CID 17246536) is 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccccc1.
What is the InChIKey of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is HZBDAIAJYUMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-10-6-7-12-13(8-10)19-15(18-12)21-9-14(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide?
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 362.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 17246536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).