1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide

C100H111Cl3N18O10S3 — CID 158872809

About 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide

1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide (PubChem CID 158872809) has the molecular formula C100H111Cl3N18O10S3 and a molecular weight of 1927.66 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide
• PubChem CID: 158872809
• Molecular Formula: C100H111Cl3N18O10S3
• Molecular Weight: 1927.66 g/mol
• Exact Mass: 1924.70
• IUPAC Name: 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide
• SMILES: C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1ccc(Cl)c(Cl)c1.C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(Cl)c1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCOC(=O)c1cccs1)C1CCCCC1.CN(C(=O)c1ccc2nc(NC(=O)c3cccs3)[nH]c2c1)C1CCCCC1
• InChI: InChI=1S/C28H30N4O4S2.C26H29Cl2N5O2.C26H30ClN5O2.C20H22N4O2S/c1-31(20-8-3-2-4-9-20)26(34)19-12-13-22-21(18-19)29-28(30-25(33)23-10-5-16-37-23)32(22)14-7-15-36-27(35)24-11-6-17-38-24;1-16(17-8-10-20(27)21(28)14-17)30-26-31-22-15-18(9-11-23(22)33(26)13-12-24(29)34)25(35)32(2)19-6-4-3-5-7-19;1-17(18-7-6-8-20(27)15-18)29-26-30-22-16-19(11-12-23(22)32(26)14-13-24(28)33)25(34)31(2)21-9-4-3-5-10-21;1-24(14-6-3-2-4-7-14)19(26)13-9-10-15-16(12-13)22-20(21-15)23-18(25)17-8-5-11-27-17/h5-6,10-13,16-18,20H,2-4,7-9,14-15H2,1H3,(H,29,30,33);8-11,14-15,19H,1,3-7,12-13H2,2H3,(H2,29,34)(H,30,31);6-8,11-12,15-16,21H,1,3-5,9-10,13-14H2,2H3,(H2,28,33)(H,29,30);5,8-12,14H,2-4,6-7H2,1H3,(H2,21,22,23,25)
• InChIKey: JCBBUVPBJWOOHF-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 358.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1927.66
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?

The IUPAC name of 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide (CID 158872809) is 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide is C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1ccc(Cl)c(Cl)c1.C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(Cl)c1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCOC(=O)c1cccs1)C1CCCCC1.CN(C(=O)c1ccc2nc(NC(=O)c3cccs3)[nH]c2c1)C1CCCCC1.

What is the InChIKey of 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?

The InChIKey is JCBBUVPBJWOOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4S2.C26H29Cl2N5O2.C26H30ClN5O2.C20H22N4O2S/c1-31(20-8-3-2-4-9-20)26(34)19-12-13-22-21(18-19)29-28(30-25(33)23-10-5-16-37-23)32(22)14-7-15-36-27(35)24-11-6-17-38-24;1-16(17-8-10-20(27)21(28)14-17)30-26-31-22-15-18(9-11-23(22)33(26)13-12-24(29)34)25(35)32(2)19-6-4-3-5-7-19;1-17(18-7-6-8-20(27)15-18)29-26-30-22-16-19(11-12-23(22)32(26)14-13-24(28)33)25(34)31(2)21-9-4-3-5-10-21;1-24(14-6-3-2-4-7-14)19(26)13-9-10-15-16(12-13)22-20(21-15)23-18(25)17-8-5-11-27-17/h5-6,10-13,16-18,20H,2-4,7-9,14-15H2,1H3,(H,29,30,33);8-11,14-15,19H,1,3-7,12-13H2,2H3,(H2,29,34)(H,30,31);6-8,11-12,15-16,21H,1,3-5,9-10,13-14H2,2H3,(H2,28,33)(H,29,30);5,8-12,14H,2-4,6-7H2,1H3,(H2,21,22,23,25).

What are the key properties of 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?

1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide has a molecular weight of 1927.66 g/mol, XLogP of 21.10, 29 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-amino-3-oxopropyl)-2-[1-(3-chlorophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3,4-dichlorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158872809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).