2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

C18H16ClFN4O2S — CID 7225853

IUPAC2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H16ClFN4O2S/c1-24(9-16(25)21-13-5-3-12(20)4-6-13)17(26)10-27-18-22-14-7-2-11(19)8-15(14)23-18/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyCGUBBJDVXPNOLX-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.54
Rot. Bonds6

About 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 7225853) has the molecular formula C18H16ClFN4O2S and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID7225853
Molecular FormulaC18H16ClFN4O2S
Molecular Weight406.87 g/mol
Exact Mass406.07
IUPAC Name2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H16ClFN4O2S/c1-24(9-16(25)21-13-5-3-12(20)4-6-13)17(26)10-27-18-22-14-7-2-11(19)8-15(14)23-18/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyCGUBBJDVXPNOLX-UHFFFAOYSA-N
XLogP3.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 4879092
2-[methyl-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2522726
2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7624339
N-(4-fluorophenyl)-2-[methyl-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide
CID 7785109
propan-2-yl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 19061687
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7488504
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8680520

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 7225853) is 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is CGUBBJDVXPNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2S/c1-24(9-16(25)21-13-5-3-12(20)4-6-13)17(26)10-27-18-22-14-7-2-11(19)8-15(14)23-18/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7225853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).