N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C16H13Br2N3OS — CID 4320150

IUPACN-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2ccccc21
InChIInChI=1S/C16H13Br2N3OS/c1-21-14-5-3-2-4-13(14)20-16(21)23-9-15(22)19-12-7-6-10(17)8-11(12)18/h2-8H,9H2,1H3,(H,19,22)
InChIKeyAWIVSPFHHHKQRI-UHFFFAOYSA-N
MW455.18 g/mol
LogP4.83
Rot. Bonds4

About N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 4320150) has the molecular formula C16H13Br2N3OS and a molecular weight of 455.18 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID4320150
Molecular FormulaC16H13Br2N3OS
Molecular Weight455.18 g/mol
Exact Mass452.91
IUPAC NameN-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2ccccc21
InChIInChI=1S/C16H13Br2N3OS/c1-21-14-5-3-2-4-13(14)20-16(21)23-9-15(22)19-12-7-6-10(17)8-11(12)18/h2-8H,9H2,1H3,(H,19,22)
InChIKeyAWIVSPFHHHKQRI-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 52644614
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 136757749
2-[(2,4-dibromophenyl)methylsulfanyl]-1-methylbenzimidazole bromide
CID 21203591
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17424889
N-(4-bromo-2-fluorophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518035
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 25042714
N-(2-bromophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518061
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 42983279
N-(2-bromo-4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 29154593

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 4320150) is N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2ccccc21.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is AWIVSPFHHHKQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3OS/c1-21-14-5-3-2-4-13(14)20-16(21)23-9-15(22)19-12-7-6-10(17)8-11(12)18/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 455.18 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4320150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).