N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide

C16H12BrClFN3OS — CID 52644614

IUPACN-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(Br)cc2F)nc2cc(Cl)ccc21
InChIInChI=1S/C16H12BrClFN3OS/c1-22-14-5-3-10(18)7-13(14)21-16(22)24-8-15(23)20-12-4-2-9(17)6-11(12)19/h2-7H,8H2,1H3,(H,20,23)
InChIKeyILFMZJMBYBVSEE-UHFFFAOYSA-N
MW428.71 g/mol
LogP4.86
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide

N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 52644614) has the molecular formula C16H12BrClFN3OS and a molecular weight of 428.71 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID52644614
Molecular FormulaC16H12BrClFN3OS
Molecular Weight428.71 g/mol
Exact Mass426.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(Br)cc2F)nc2cc(Cl)ccc21
InChIInChI=1S/C16H12BrClFN3OS/c1-22-14-5-3-10(18)7-13(14)21-16(22)24-8-15(23)20-12-4-2-9(17)6-11(12)19/h2-7H,8H2,1H3,(H,20,23)
InChIKeyILFMZJMBYBVSEE-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.71
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4320150
N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 47046624
N-(4-bromo-2-fluorophenyl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 16504813
N-(4-bromo-2-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 2610371
N-(4-bromo-2-fluorophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2197190
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16541604
2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 47046613
N-(4-bromo-2-fluorophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518035
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
N-[[5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-chlorobenzamide
CID 1298696
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 7977899
N-(4-bromo-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2351076

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 52644614) is N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nc2cc(Cl)ccc21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is ILFMZJMBYBVSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFN3OS/c1-22-14-5-3-10(18)7-13(14)21-16(22)24-8-15(23)20-12-4-2-9(17)6-11(12)19/h2-7H,8H2,1H3,(H,20,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 428.71 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 52644614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).