N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide

C24H23FN4O3S — CID 52661392

IUPACN-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1
InChIInChI=1S/C24H23FN4O3S/c1-15(2)29-33(31,32)19-10-7-16(8-11-19)24(30)26-18-9-12-21-22(14-18)28-23(27-21)13-17-5-3-4-6-20(17)25/h3-12,14-15,29H,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyCGFRYTUFRHNWFQ-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.23
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide

N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 52661392) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID52661392
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC NameN-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1
InChIInChI=1S/C24H23FN4O3S/c1-15(2)29-33(31,32)19-10-7-16(8-11-19)24(30)26-18-9-12-21-22(14-18)28-23(27-21)13-17-5-3-4-6-20(17)25/h3-12,14-15,29H,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyCGFRYTUFRHNWFQ-UHFFFAOYSA-N
XLogP4.23
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-methoxy-3-nitrobenzamide
CID 52688566
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798737
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 162521246
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
CID 119859268
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55857428
N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide
CID 11349348
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
CID 119859244

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide (CID 52661392) is N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CGFRYTUFRHNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15(2)29-33(31,32)19-10-7-16(8-11-19)24(30)26-18-9-12-21-22(14-18)28-23(27-21)13-17-5-3-4-6-20(17)25/h3-12,14-15,29H,13H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 466.54 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 52661392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).