bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile

C83H84F8N10O4 — CID 159460064

About bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile

bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile (PubChem CID 159460064) has the molecular formula C83H84F8N10O4 and a molecular weight of 1437.63 g/mol. Its IUPAC name is bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile.

Molecular Properties

• Compound Name: bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile
• PubChem CID: 159460064
• Molecular Formula: C83H84F8N10O4
• Molecular Weight: 1437.63 g/mol
• Exact Mass: 1436.65
• IUPAC Name: bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile
• SMILES: N#Cc1ccc(C2CCC(=O)CC2)cc1.N#Cc1ccc(C2CCC(F)(F)CC2)cc1.O=C1NCC(c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1NCC(c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=Cc1ccc(C2CCC(F)(F)CC2)cc1
• InChI: InChI=1S/2C22H22F2N4O.C13H13F2N.C13H14F2O.C13H13NO/c2*23-22(24)9-7-15(8-10-22)14-1-3-16(4-2-14)20-12-25-21(29)28(20)17-5-6-18-19(11-17)27-13-26-18;2*14-13(15)7-5-12(6-8-13)11-3-1-10(9-16)2-4-11;14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h2*1-6,11,13,15,20H,7-10,12H2,(H,25,29)(H,26,27);1-4,12H,5-8H2;1-4,9,12H,5-8H2;1-4,12H,5-8H2
• InChIKey: LUMCIXVLNZCJBY-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 203.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1437.63
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?

The IUPAC name of bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile (CID 159460064) is bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile.

What is the SMILES notation for bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?

The canonical SMILES for bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile is N#Cc1ccc(C2CCC(=O)CC2)cc1.N#Cc1ccc(C2CCC(F)(F)CC2)cc1.O=C1NCC(c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1NCC(c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=Cc1ccc(C2CCC(F)(F)CC2)cc1.

What is the InChIKey of bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?

The InChIKey is LUMCIXVLNZCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22F2N4O.C13H13F2N.C13H14F2O.C13H13NO/c2*23-22(24)9-7-15(8-10-22)14-1-3-16(4-2-14)20-12-25-21(29)28(20)17-5-6-18-19(11-17)27-13-26-18;2*14-13(15)7-5-12(6-8-13)11-3-1-10(9-16)2-4-11;14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h2*1-6,11,13,15,20H,7-10,12H2,(H,25,29)(H,26,27);1-4,12H,5-8H2;1-4,9,12H,5-8H2;1-4,12H,5-8H2.

What are the key properties of bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?

bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile has a molecular weight of 1437.63 g/mol, XLogP of 20.68, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile is sourced from PubChem (CID 159460064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).