N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide

C26H20ClFN6O2S — CID 157153920

IUPACN-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide
SMILESCC(F)(Oc1ccccc1)C(=O)Nc1cccc(CSc2nc3ccccc3n2-c2ncncc2Cl)n1
InChIInChI=1S/C26H20ClFN6O2S/c1-26(28,36-18-9-3-2-4-10-18)24(35)33-22-13-7-8-17(31-22)15-37-25-32-20-11-5-6-12-21(20)34(25)23-19(27)14-29-16-30-23/h2-14,16H,15H2,1H3,(H,31,33,35)
InChIKeyBZLCSGVVNJRDFN-UHFFFAOYSA-N
MW535.00 g/mol
LogP5.86
Rot. Bonds8

About N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide

N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide (PubChem CID 157153920) has the molecular formula C26H20ClFN6O2S and a molecular weight of 535.00 g/mol. Its IUPAC name is N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide
PubChem CID157153920
Molecular FormulaC26H20ClFN6O2S
Molecular Weight535.00 g/mol
Exact Mass534.10
IUPAC NameN-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide
SMILESCC(F)(Oc1ccccc1)C(=O)Nc1cccc(CSc2nc3ccccc3n2-c2ncncc2Cl)n1
InChIInChI=1S/C26H20ClFN6O2S/c1-26(28,36-18-9-3-2-4-10-18)24(35)33-22-13-7-8-17(31-22)15-37-25-32-20-11-5-6-12-21(20)34(25)23-19(27)14-29-16-30-23/h2-14,16H,15H2,1H3,(H,31,33,35)
InChIKeyBZLCSGVVNJRDFN-UHFFFAOYSA-N
XLogP5.86
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide with MolForge

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Related Compounds

N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide
CID 157414656
2,2-difluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide
CID 135230268
2,2-difluoro-N-[6-[[1-(3-methyl-2-pyridinyl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]propanamide
CID 158076919
ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate
CID 135230223
2,2-difluoro-N-[6-[[1-(3-methyl-1,2-thiazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-N-[6-[[1-(1,2-oxazol-3-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;molecular hydrogen
CID 145383706
2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 105370562
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
1-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 7224412
2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4284823
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
2,2-dimethyl-3-(1-phenylbenzimidazol-2-yl)-N-pyridin-2-ylpropanamide
CID 138976307
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide
CID 94380192

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide?
The IUPAC name of N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide (CID 157153920) is N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide.
What is the SMILES notation for N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide?
The canonical SMILES for N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide is CC(F)(Oc1ccccc1)C(=O)Nc1cccc(CSc2nc3ccccc3n2-c2ncncc2Cl)n1.
What is the InChIKey of N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide?
The InChIKey is BZLCSGVVNJRDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN6O2S/c1-26(28,36-18-9-3-2-4-10-18)24(35)33-22-13-7-8-17(31-22)15-37-25-32-20-11-5-6-12-21(20)34(25)23-19(27)14-29-16-30-23/h2-14,16H,15H2,1H3,(H,31,33,35).
What are the key properties of N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide?
N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide has a molecular weight of 535.00 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide is sourced from PubChem (CID 157153920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).