2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride

C120H126ClN27O20S6 — CID 158364047

About 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride

2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride (PubChem CID 158364047) has the molecular formula C120H126ClN27O20S6 and a molecular weight of 2494.35 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
• PubChem CID: 158364047
• Molecular Formula: C120H126ClN27O20S6
• Molecular Weight: 2494.35 g/mol
• Exact Mass: 2491.77
• IUPAC Name: 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cl.NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12.NC(=O)c1cccc2[nH]c(CSCCN3CCCCC3)nc12.NC(=O)c1cccc2[nH]c(CSCCN3CCc4ccccc4C3)nc12.NC(=O)c1cccc2c1nc1n2CCCC1
• InChI: InChI=1S/C20H22N4OS.C19H16N4O5S.2C18H18N4O4S.C17H16N4O4S.C16H22N4OS.C12H13N3O.ClH/c21-20(25)16-6-3-7-17-19(16)23-18(22-17)13-26-11-10-24-9-8-14-4-1-2-5-15(14)12-24;20-19(26)13-2-1-3-14-18(13)22-15(21-14)10-29(27,28)12-6-4-11(5-7-12)23-16(24)8-9-17(23)25;2*1-2-16(23)20-11-6-8-12(9-7-11)27(25,26)10-15-21-14-5-3-4-13(18(19)24)17(14)22-15;1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15;17-16(21)12-5-4-6-13-15(12)19-14(18-13)11-22-10-9-20-7-2-1-3-8-20;13-12(16)8-4-3-5-9-11(8)14-10-6-1-2-7-15(9)10;/h1-7H,8-13H2,(H2,21,25)(H,22,23);1-7H,8-10H2,(H2,20,26)(H,21,22);2*3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);4-6H,1-3,7-11H2,(H2,17,21)(H,18,19);3-5H,1-2,6-7H2,(H2,13,16);1H
• InChIKey: XGKNMBFVVCYFHR-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 759.25 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2494.35
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?

The IUPAC name of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride (CID 158364047) is 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride.

What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?

The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cl.NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12.NC(=O)c1cccc2[nH]c(CSCCN3CCCCC3)nc12.NC(=O)c1cccc2[nH]c(CSCCN3CCc4ccccc4C3)nc12.NC(=O)c1cccc2c1nc1n2CCCC1.

What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?

The InChIKey is XGKNMBFVVCYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.C19H16N4O5S.2C18H18N4O4S.C17H16N4O4S.C16H22N4OS.C12H13N3O.ClH/c21-20(25)16-6-3-7-17-19(16)23-18(22-17)13-26-11-10-24-9-8-14-4-1-2-5-15(14)12-24;20-19(26)13-2-1-3-14-18(13)22-15(21-14)10-29(27,28)12-6-4-11(5-7-12)23-16(24)8-9-17(23)25;2*1-2-16(23)20-11-6-8-12(9-7-11)27(25,26)10-15-21-14-5-3-4-13(18(19)24)17(14)22-15;1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15;17-16(21)12-5-4-6-13-15(12)19-14(18-13)11-22-10-9-20-7-2-1-3-8-20;13-12(16)8-4-3-5-9-11(8)14-10-6-1-2-7-15(9)10;/h1-7H,8-13H2,(H2,21,25)(H,22,23);1-7H,8-10H2,(H2,20,26)(H,21,22);2*3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);4-6H,1-3,7-11H2,(H2,17,21)(H,18,19);3-5H,1-2,6-7H2,(H2,13,16);1H.

What are the key properties of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?

2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride has a molecular weight of 2494.35 g/mol, XLogP of 14.08, 35 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride is sourced from PubChem (CID 158364047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).