N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide

C22H19N3O3S — CID 7522685

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C22H19N3O3S/c1-2-29(27,28)18-10-6-8-16(14-18)22(26)23-17-9-5-7-15(13-17)21-24-19-11-3-4-12-20(19)25-21/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyFGGBBEVRYGXKQK-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.28
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide (PubChem CID 7522685) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
PubChem CID7522685
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C22H19N3O3S/c1-2-29(27,28)18-10-6-8-16(14-18)22(26)23-17-9-5-7-15(13-17)21-24-19-11-3-4-12-20(19)25-21/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyFGGBBEVRYGXKQK-UHFFFAOYSA-N
XLogP4.28
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993117
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 5127236

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide (CID 7522685) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide?
The InChIKey is FGGBBEVRYGXKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-2-29(27,28)18-10-6-8-16(14-18)22(26)23-17-9-5-7-15(13-17)21-24-19-11-3-4-12-20(19)25-21/h3-14H,2H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide has a molecular weight of 405.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide is sourced from PubChem (CID 7522685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).