4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine

C128H151N29O5S8 — CID 157409806

About 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine

4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine (PubChem CID 157409806) has the molecular formula C128H151N29O5S8 and a molecular weight of 2432.35 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine.

Molecular Properties

• Compound Name: 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine
• PubChem CID: 157409806
• Molecular Formula: C128H151N29O5S8
• Molecular Weight: 2432.35 g/mol
• Exact Mass: 2430.02
• IUPAC Name: 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine
• SMILES: CCCC.CCCCC.CCCCC.CCCCC.CCCCC.CCCCCc1nc2ccccc2n1-c1csc(C#N)c1.CCCCCc1nc2ccccc2n1-c1csc(CN)c1.CNC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=NO)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3cnccc32)cs1.NC(=O)c1cc(-n2cnc3cnccc32)cs1.NC(=O)c1nc(-n2cnc3ccccc32)cs1.[H]/N=C(\N)c1cc(-n2cnc3ccccc32)cs1
• InChI: InChI=1S/C17H21N3S.C17H17N3S.C13H11N3OS.C12H10N4OS.C12H10N4S.3C11H8N4OS.4C5H12.C4H10/c2*1-2-3-4-9-17-19-15-7-5-6-8-16(15)20(17)13-10-14(11-18)21-12-13;1-14-13(17)12-6-9(7-18-12)16-8-15-10-4-2-3-5-11(10)16;13-12(15-17)11-5-8(6-18-11)16-7-14-9-3-1-2-4-10(9)16;13-12(14)11-5-8(6-17-11)16-7-15-9-3-1-2-4-10(9)16;2*12-11(16)10-3-7(5-17-10)15-6-14-8-4-13-2-1-9(8)15;12-10(16)11-14-9(5-17-11)15-6-13-7-3-1-2-4-8(7)15;4*1-3-5-4-2;1-3-4-2/h5-8,10,12H,2-4,9,11,18H2,1H3;5-8,10,12H,2-4,9H2,1H3;2-8H,1H3,(H,14,17);1-7,17H,(H2,13,15);1-7H,(H3,13,14);3*1-6H,(H2,12,16);4*3-5H2,1-2H3;3-4H2,1-2H3
• InChIKey: BODISFWJKXQXMM-UHFFFAOYSA-N
• XLogP: 31.30
• TPSA: 497.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2432.35
LogP ≤ 5	31.30
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine?

The IUPAC name of 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine (CID 157409806) is 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine.

What is the SMILES notation for 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine?

The canonical SMILES for 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine is CCCC.CCCCC.CCCCC.CCCCC.CCCCC.CCCCCc1nc2ccccc2n1-c1csc(C#N)c1.CCCCCc1nc2ccccc2n1-c1csc(CN)c1.CNC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=NO)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3cnccc32)cs1.NC(=O)c1cc(-n2cnc3cnccc32)cs1.NC(=O)c1nc(-n2cnc3ccccc32)cs1.[H]/N=C(\N)c1cc(-n2cnc3ccccc32)cs1.

What is the InChIKey of 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine?

The InChIKey is BODISFWJKXQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S.C17H17N3S.C13H11N3OS.C12H10N4OS.C12H10N4S.3C11H8N4OS.4C5H12.C4H10/c2*1-2-3-4-9-17-19-15-7-5-6-8-16(15)20(17)13-10-14(11-18)21-12-13;1-14-13(17)12-6-9(7-18-12)16-8-15-10-4-2-3-5-11(10)16;13-12(15-17)11-5-8(6-18-11)16-7-14-9-3-1-2-4-10(9)16;13-12(14)11-5-8(6-17-11)16-7-15-9-3-1-2-4-10(9)16;2*12-11(16)10-3-7(5-17-10)15-6-14-8-4-13-2-1-9(8)15;12-10(16)11-14-9(5-17-11)15-6-13-7-3-1-2-4-8(7)15;4*1-3-5-4-2;1-3-4-2/h5-8,10,12H,2-4,9,11,18H2,1H3;5-8,10,12H,2-4,9H2,1H3;2-8H,1H3,(H,14,17);1-7,17H,(H2,13,15);1-7H,(H3,13,14);3*1-6H,(H2,12,16);4*3-5H2,1-2H3;3-4H2,1-2H3.

What are the key properties of 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine?

4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine has a molecular weight of 2432.35 g/mol, XLogP of 31.30, 32 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 157409806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).