2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide

C95H110N18O8S6 — CID 167589049

About 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide

2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide (PubChem CID 167589049) has the molecular formula C95H110N18O8S6 and a molecular weight of 1824.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
• PubChem CID: 167589049
• Molecular Formula: C95H110N18O8S6
• Molecular Weight: 1824.44 g/mol
• Exact Mass: 1822.71
• IUPAC Name: 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
• SMILES: C/C=C(\SC)C(=O)NC1CCCC(n2c(-c3ccn[nH]3)nc3cc(C(=O)CC)ccc32)C1.C/C=C(\SC)C(=O)NC1CCCC(n2c(-c3nccs3)nc3cc(C(=O)CC)ccc32)C1.C=C(SC)C(=O)NC1CCCC(n2c(-c3ccccn3)nc3cc(C(N)=O)ccc32)C1.C=C(SC)C(=O)NC1CCCC(n2c(-c3csc(C)n3)nc3cc(C(=O)CC)ccc32)C1
• InChI: InChI=1S/C24H29N5O2S.2C24H28N4O2S2.C23H25N5O2S/c1-4-21(30)15-9-10-20-19(13-15)27-23(18-11-12-25-28-18)29(20)17-8-6-7-16(14-17)26-24(31)22(5-2)32-3;1-5-22(29)16-9-10-21-19(11-16)27-23(20-13-32-15(3)25-20)28(21)18-8-6-7-17(12-18)26-24(30)14(2)31-4;1-4-20(29)15-9-10-19-18(13-15)27-22(24-25-11-12-32-24)28(19)17-8-6-7-16(14-17)26-23(30)21(5-2)31-3;1-14(31-2)23(30)26-16-6-5-7-17(13-16)28-20-10-9-15(21(24)29)12-19(20)27-22(28)18-8-3-4-11-25-18/h5,9-13,16-17H,4,6-8,14H2,1-3H3,(H,25,28)(H,26,31);9-11,13,17-18H,2,5-8,12H2,1,3-4H3,(H,26,30);5,9-13,16-17H,4,6-8,14H2,1-3H3,(H,26,30);3-4,8-12,16-17H,1,5-7,13H2,2H3,(H2,24,29)(H,26,30)/b22-5-;;21-5-
• InChIKey: IENWCHIYVREXOZ-PNEYHLJWSA-N
• XLogP: 19.72
• TPSA: 349.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1824.44
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?

The IUPAC name of 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide (CID 167589049) is 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide.

What is the SMILES notation for 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?

The canonical SMILES for 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide is C/C=C(\SC)C(=O)NC1CCCC(n2c(-c3ccn[nH]3)nc3cc(C(=O)CC)ccc32)C1.C/C=C(\SC)C(=O)NC1CCCC(n2c(-c3nccs3)nc3cc(C(=O)CC)ccc32)C1.C=C(SC)C(=O)NC1CCCC(n2c(-c3ccccn3)nc3cc(C(N)=O)ccc32)C1.C=C(SC)C(=O)NC1CCCC(n2c(-c3csc(C)n3)nc3cc(C(=O)CC)ccc32)C1.

What is the InChIKey of 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?

The InChIKey is IENWCHIYVREXOZ-PNEYHLJWSA-N. The full InChI is InChI=1S/C24H29N5O2S.2C24H28N4O2S2.C23H25N5O2S/c1-4-21(30)15-9-10-20-19(13-15)27-23(18-11-12-25-28-18)29(20)17-8-6-7-16(14-17)26-24(31)22(5-2)32-3;1-5-22(29)16-9-10-21-19(11-16)27-23(20-13-32-15(3)25-20)28(21)18-8-6-7-17(12-18)26-24(30)14(2)31-4;1-4-20(29)15-9-10-19-18(13-15)27-22(24-25-11-12-32-24)28(19)17-8-6-7-16(14-17)26-23(30)21(5-2)31-3;1-14(31-2)23(30)26-16-6-5-7-17(13-16)28-20-10-9-15(21(24)29)12-19(20)27-22(28)18-8-3-4-11-25-18/h5,9-13,16-17H,4,6-8,14H2,1-3H3,(H,25,28)(H,26,31);9-11,13,17-18H,2,5-8,12H2,1,3-4H3,(H,26,30);5,9-13,16-17H,4,6-8,14H2,1-3H3,(H,26,30);3-4,8-12,16-17H,1,5-7,13H2,2H3,(H2,24,29)(H,26,30)/b22-5-;;21-5-;.

What are the key properties of 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?

2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide has a molecular weight of 1824.44 g/mol, XLogP of 19.72, 27 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylsulfanyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]prop-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;(Z)-2-methylsulfanyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]but-2-enamide;1-[3-(2-methylsulfanylprop-2-enoylamino)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 167589049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).