N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide

C23H19N3O3S — CID 40672353

IUPACN-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
SMILESCOc1ccc2nc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C23H19N3O3S/c1-29-18-11-12-19-20(13-18)26-23(25-19)30-14-21(27)15-7-9-17(10-8-15)24-22(28)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyAPNQDILBVUUNJN-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.80
Rot. Bonds7

About N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide

N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide (PubChem CID 40672353) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
PubChem CID40672353
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
SMILESCOc1ccc2nc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C23H19N3O3S/c1-29-18-11-12-19-20(13-18)26-23(25-19)30-14-21(27)15-7-9-17(10-8-15)24-22(28)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyAPNQDILBVUUNJN-UHFFFAOYSA-N
XLogP4.80
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 2858387
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
1-[4-(difluoromethoxy)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7246694
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-propylphenyl)ethanone
CID 7225507
1-[4-[(2S)-butan-2-yl]phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7225511
1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7225565
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 18266537
4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7152421
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide (CID 40672353) is N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide is COc1ccc2nc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide?
The InChIKey is APNQDILBVUUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-29-18-11-12-19-20(13-18)26-23(25-19)30-14-21(27)15-7-9-17(10-8-15)24-22(28)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide?
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide is sourced from PubChem (CID 40672353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).