N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide

C22H18ClN3OS — CID 1231029

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18ClN3OS/c23-18-6-2-1-5-16(18)13-28-14-21(27)24-17-11-9-15(10-12-17)22-25-19-7-3-4-8-20(19)26-22/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyYDXDAHTUVIYUAT-UHFFFAOYSA-N
MW407.93 g/mol
LogP5.76
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 1231029) has the molecular formula C22H18ClN3OS and a molecular weight of 407.93 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
PubChem CID1231029
Molecular FormulaC22H18ClN3OS
Molecular Weight407.93 g/mol
Exact Mass407.09
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18ClN3OS/c23-18-6-2-1-5-16(18)13-28-14-21(27)24-17-11-9-15(10-12-17)22-25-19-7-3-4-8-20(19)26-22/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyYDXDAHTUVIYUAT-UHFFFAOYSA-N
XLogP5.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.93
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 17296174
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-chlorophenyl)acetamide
CID 8762462
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 43021407
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide
CID 38328922
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
CID 8713802
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide (CID 1231029) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is YDXDAHTUVIYUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3OS/c23-18-6-2-1-5-16(18)13-28-14-21(27)24-17-11-9-15(10-12-17)22-25-19-7-3-4-8-20(19)26-22/h1-12H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 407.93 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 1231029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).