2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C23H21N3O2S — CID 58381134

IUPAC2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc([C@H]2C[C@H]2c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C23H21N3O2S/c1-14-6-8-15(9-7-14)18-13-19(18)23-25-20-11-10-16(12-21(20)26-23)17-4-2-3-5-22(17)29(24,27)28/h2-12,18-19H,13H2,1H3,(H,25,26)(H2,24,27,28)/t18-,19-/m1/s1
InChIKeyXGDYGIOVQJCVCX-RTBURBONSA-N
MW403.51 g/mol
LogP4.46
Rot. Bonds4

About 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 58381134) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID58381134
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc([C@H]2C[C@H]2c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C23H21N3O2S/c1-14-6-8-15(9-7-14)18-13-19(18)23-25-20-11-10-16(12-21(20)26-23)17-4-2-3-5-22(17)29(24,27)28/h2-12,18-19H,13H2,1H3,(H,25,26)(H2,24,27,28)/t18-,19-/m1/s1
InChIKeyXGDYGIOVQJCVCX-RTBURBONSA-N
XLogP4.46
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Enviradene
CID 6435398
2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
2-{3'-[Amino(imino)methyl]biphenyl-4-YL}-1H-benzimidazole-5-carboximidamide
CID 11523228
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
CID 56649677
1H-Benzimidazole, 2-(1,1'-biphenyl)-4-yl-
CID 142779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
2-{4'-[amino(Imino)methyl]biphenyl-3-Yl}-1h-Benzimidazole-6-Carboximidamide
CID 11221963
2-(3-phenylphenyl)-6-propylsulfonyl-1H-benzimidazole
CID 66575661
6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole
CID 70688847
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 58381134) is 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1ccc([C@H]2C[C@H]2c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is XGDYGIOVQJCVCX-RTBURBONSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-14-6-8-15(9-7-14)18-13-19(18)23-25-20-11-10-16(12-21(20)26-23)17-4-2-3-5-22(17)29(24,27)28/h2-12,18-19H,13H2,1H3,(H,25,26)(H2,24,27,28)/t18-,19-/m1/s1.
What are the key properties of 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 58381134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).