N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide

C23H20ClN5O2S — CID 52867431

IUPACN-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H20ClN5O2S/c1-32-14-21-26-18-8-4-5-9-19(18)29(21)13-22(30)27-17-7-3-2-6-16(17)23(31)28-20-11-10-15(24)12-25-20/h2-12H,13-14H2,1H3,(H,27,30)(H,25,28,31)
InChIKeyVENZBDZJANBSLP-UHFFFAOYSA-N
MW465.97 g/mol
LogP4.84
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide (PubChem CID 52867431) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
PubChem CID52867431
Molecular FormulaC23H20ClN5O2S
Molecular Weight465.97 g/mol
Exact Mass465.10
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H20ClN5O2S/c1-32-14-21-26-18-8-4-5-9-19(18)29(21)13-22(30)27-17-7-3-2-6-16(17)23(31)28-20-11-10-15(24)12-25-20/h2-12H,13-14H2,1H3,(H,27,30)(H,25,28,31)
InChIKeyVENZBDZJANBSLP-UHFFFAOYSA-N
XLogP4.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 51254645
N-[(2,4-dichlorophenyl)methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 9403656
N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 30889361
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47016427
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55900491
2-methyl-2-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696565
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide (CID 52867431) is N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide is CSCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The InChIKey is VENZBDZJANBSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c1-32-14-21-26-18-8-4-5-9-19(18)29(21)13-22(30)27-17-7-3-2-6-16(17)23(31)28-20-11-10-15(24)12-25-20/h2-12H,13-14H2,1H3,(H,27,30)(H,25,28,31).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide has a molecular weight of 465.97 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 52867431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).