2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole

C26H23N5O2S — CID 3558151

IUPAC2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C26H23N5O2S/c32-34(33,31-15-6-7-16-31)20-12-8-11-19(17-20)25-23(24(29-30-25)18-9-2-1-3-10-18)26-27-21-13-4-5-14-22(21)28-26/h1-5,8-14,17H,6-7,15-16H2,(H,27,28)(H,29,30)
InChIKeyMJAWFBHKWHODIW-UHFFFAOYSA-N
MW469.57 g/mol
LogP5.07
Rot. Bonds5

About 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole

2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole (PubChem CID 3558151) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole
PubChem CID3558151
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C26H23N5O2S/c32-34(33,31-15-6-7-16-31)20-12-8-11-19(17-20)25-23(24(29-30-25)18-9-2-1-3-10-18)26-27-21-13-4-5-14-22(21)28-26/h1-5,8-14,17H,6-7,15-16H2,(H,27,28)(H,29,30)
InChIKeyMJAWFBHKWHODIW-UHFFFAOYSA-N
XLogP5.07
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2343559
2-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 2130217
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2373893
2-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-3-ol
CID 53218283
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809633
1-(3-phenylphenyl)sulfonyl-1,4-diazepane
CID 120999353

Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole (CID 3558151) is 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole is O=S(=O)(c1cccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1)N1CCCC1.
What is the InChIKey of 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole?
The InChIKey is MJAWFBHKWHODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c32-34(33,31-15-6-7-16-31)20-12-8-11-19(17-20)25-23(24(29-30-25)18-9-2-1-3-10-18)26-27-21-13-4-5-14-22(21)28-26/h1-5,8-14,17H,6-7,15-16H2,(H,27,28)(H,29,30).
What are the key properties of 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole?
2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole has a molecular weight of 469.57 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 3558151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).