1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone

C21H16N2OS — CID 3323269

IUPAC1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C21H16N2OS/c24-21(23-15-22-18-13-7-8-14-19(18)23)20(16-9-3-1-4-10-16)25-17-11-5-2-6-12-17/h1-15,20H
InChIKeyYXWKBHVLCUEKOU-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.21
Rot. Bonds4

About 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone

1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone (PubChem CID 3323269) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone
PubChem CID3323269
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C21H16N2OS/c24-21(23-15-22-18-13-7-8-14-19(18)23)20(16-9-3-1-4-10-16)25-17-11-5-2-6-12-17/h1-15,20H
InChIKeyYXWKBHVLCUEKOU-UHFFFAOYSA-N
XLogP5.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
N-phenylbenzimidazole-1-carboxamide
CID 13125705
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831
1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 60563349
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119487480
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 55429806
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 75864681
1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone (CID 3323269) is 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone is O=C(C(Sc1ccccc1)c1ccccc1)n1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is YXWKBHVLCUEKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-21(23-15-22-18-13-7-8-14-19(18)23)20(16-9-3-1-4-10-16)25-17-11-5-2-6-12-17/h1-15,20H.
What are the key properties of 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone?
1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 344.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 3323269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).