N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide

C25H19N5O3S — CID 55855168

IUPACN-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESO=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C25H19N5O3S/c31-24(18-10-12-21(13-11-18)34(32,33)29-19-14-16-26-17-15-19)28-25-27-22-8-4-5-9-23(22)30(25)20-6-2-1-3-7-20/h1-17H,(H,26,29)(H,27,28,31)
InChIKeyKEMNDIHZFHNDBC-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.47
Rot. Bonds6

About N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide

N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide (PubChem CID 55855168) has the molecular formula C25H19N5O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
PubChem CID55855168
Molecular FormulaC25H19N5O3S
Molecular Weight469.53 g/mol
Exact Mass469.12
IUPAC NameN-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESO=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C25H19N5O3S/c31-24(18-10-12-21(13-11-18)34(32,33)29-19-14-16-26-17-15-19)28-25-27-22-8-4-5-9-23(22)30(25)20-6-2-1-3-7-20/h1-17H,(H,26,29)(H,27,28,31)
InChIKeyKEMNDIHZFHNDBC-UHFFFAOYSA-N
XLogP4.47
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 55806112
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
CID 56789277
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 32561578
N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5043489
4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 86771827
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142
N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 35994898
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide (CID 55855168) is N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide is O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1.
What is the InChIKey of N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The InChIKey is KEMNDIHZFHNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3S/c31-24(18-10-12-21(13-11-18)34(32,33)29-19-14-16-26-17-15-19)28-25-27-22-8-4-5-9-23(22)30(25)20-6-2-1-3-7-20/h1-17H,(H,26,29)(H,27,28,31).
What are the key properties of N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide has a molecular weight of 469.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 55855168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).