N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C54H60F3N9O6S — CID 90882905

About N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 90882905) has the molecular formula C54H60F3N9O6S and a molecular weight of 1020.19 g/mol. Its IUPAC name is N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 90882905
• Molecular Formula: C54H60F3N9O6S
• Molecular Weight: 1020.19 g/mol
• Exact Mass: 1019.43
• IUPAC Name: N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1nc2ccc(N3CC[C@H](O)C3)cc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C27H25F3N4O3.C27H35N5O3S/c28-27(29,30)19-3-1-2-18(14-19)25(37)32-26-31-23-9-8-21(33-12-10-22(36)16-33)15-24(23)34(26)20-6-4-17(5-7-20)11-13-35;1-28-36(34,35)23-12-8-9-21(18-23)26(33)30-27-29-24-17-20(19-31-15-6-3-7-16-31)13-14-25(24)32(27)22-10-4-2-5-11-22/h1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);8-9,12-14,17-18,22,28H,2-7,10-11,15-16,19H2,1H3,(H,29,30,33)/t22-;/m0./s1
• InChIKey: UGIRLSGUISEDDA-FTBISJDPSA-N
• XLogP: 9.09
• TPSA: 186.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1020.19
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 90882905) is N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1nc2ccc(N3CC[C@H](O)C3)cc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is UGIRLSGUISEDDA-FTBISJDPSA-N. The full InChI is InChI=1S/C27H25F3N4O3.C27H35N5O3S/c28-27(29,30)19-3-1-2-18(14-19)25(37)32-26-31-23-9-8-21(33-12-10-22(36)16-33)15-24(23)34(26)20-6-4-17(5-7-20)11-13-35;1-28-36(34,35)23-12-8-9-21(18-23)26(33)30-27-29-24-17-20(19-31-15-6-3-7-16-31)13-14-25(24)32(27)22-10-4-2-5-11-22/h1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);8-9,12-14,17-18,22,28H,2-7,10-11,15-16,19H2,1H3,(H,29,30,33)/t22-;/m0./s1.

What are the key properties of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1020.19 g/mol, XLogP of 9.09, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90882905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).