2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide

C22H21N5O3S — CID 162521246

IUPAC2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNCCc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2[nH]1
InChIInChI=1S/C22H21N5O3S/c23-13-12-21-25-19-11-6-15(14-20(19)26-21)22(28)24-16-7-9-18(10-8-16)31(29,30)27-17-4-2-1-3-5-17/h1-11,14,27H,12-13,23H2,(H,24,28)(H,25,26)
InChIKeyKORABOWPOWTNKA-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.12
Rot. Bonds7

About 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide

2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 162521246) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID162521246
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNCCc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2[nH]1
InChIInChI=1S/C22H21N5O3S/c23-13-12-21-25-19-11-6-15(14-20(19)26-21)22(28)24-16-7-9-18(10-8-16)31(29,30)27-17-4-2-1-3-5-17/h1-11,14,27H,12-13,23H2,(H,24,28)(H,25,26)
InChIKeyKORABOWPOWTNKA-UHFFFAOYSA-N
XLogP3.12
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 18105180
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 52661392
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 162521246) is 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide is NCCc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2[nH]1.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KORABOWPOWTNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c23-13-12-21-25-19-11-6-15(14-20(19)26-21)22(28)24-16-7-9-18(10-8-16)31(29,30)27-17-4-2-1-3-5-17/h1-11,14,27H,12-13,23H2,(H,24,28)(H,25,26).
What are the key properties of 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 162521246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).