5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide

C55H53F2N6O4+ — CID 163877315

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide
SMILESCCCN(C(=O)c1ccc(-c2c(-c3ccc(F)cc3)[nH]c[n+]2C2CCC(Cc3cccc(NC(=O)c4ccc(-c5c(-c6ccc(F)cc6)ncn5C5CCCC5)o4)c3)C2)o1)c1ccc(C)cc1
InChIInChI=1S/C55H52F2N6O4/c1-3-29-61(44-22-11-35(2)12-23-44)55(65)49-28-26-47(67-49)53-51(39-16-20-41(57)21-17-39)59-34-63(53)45-24-13-37(32-45)30-36-7-6-8-42(31-36)60-54(64)48-27-25-46(66-48)52-50(38-14-18-40(56)19-15-38)58-33-62(52)43-9-4-5-10-43/h6-8,11-12,14-23,25-28,31,33-34,37,43,45H,3-5,9-10,13,24,29-30,32H2,1-2H3,(H,60,64)/p+1
InChIKeyPQARHMPTATZYCO-UHFFFAOYSA-O
MW900.06 g/mol
LogP12.95
Rot. Bonds14

About 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide (PubChem CID 163877315) has the molecular formula C55H53F2N6O4+ and a molecular weight of 900.06 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide
PubChem CID163877315
Molecular FormulaC55H53F2N6O4+
Molecular Weight900.06 g/mol
Exact Mass899.41
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide
SMILESCCCN(C(=O)c1ccc(-c2c(-c3ccc(F)cc3)[nH]c[n+]2C2CCC(Cc3cccc(NC(=O)c4ccc(-c5c(-c6ccc(F)cc6)ncn5C5CCCC5)o4)c3)C2)o1)c1ccc(C)cc1
InChIInChI=1S/C55H52F2N6O4/c1-3-29-61(44-22-11-35(2)12-23-44)55(65)49-28-26-47(67-49)53-51(39-16-20-41(57)21-17-39)59-34-63(53)45-24-13-37(32-45)30-36-7-6-8-42(31-36)60-54(64)48-27-25-46(66-48)52-50(38-14-18-40(56)19-15-38)58-33-62(52)43-9-4-5-10-43/h6-8,11-12,14-23,25-28,31,33-34,37,43,45H,3-5,9-10,13,24,29-30,32H2,1-2H3,(H,60,64)/p+1
InChIKeyPQARHMPTATZYCO-UHFFFAOYSA-O
XLogP12.95
TPSA113.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.06
LogP ≤ 512.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[1-Cyclohexyl-4-(4-methylphenyl)-1H-imidazol-5-YL]-N-(2-fluorophenyl)furan-2-carboxamide
CID 53036048
5-[1-Cyclohexyl-4-(4-methylphenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide
CID 53036049
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 53036067
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 53036074
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 53036075
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-ethylphenyl)furan-2-carboxamide
CID 53036077
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2-fluorophenyl)furan-2-carboxamide
CID 53036078
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-fluorophenyl)furan-2-carboxamide
CID 53036079
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide
CID 53036080
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 53036087
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 53036088

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide (CID 163877315) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide is CCCN(C(=O)c1ccc(-c2c(-c3ccc(F)cc3)[nH]c[n+]2C2CCC(Cc3cccc(NC(=O)c4ccc(-c5c(-c6ccc(F)cc6)ncn5C5CCCC5)o4)c3)C2)o1)c1ccc(C)cc1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
The InChIKey is PQARHMPTATZYCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C55H52F2N6O4/c1-3-29-61(44-22-11-35(2)12-23-44)55(65)49-28-26-47(67-49)53-51(39-16-20-41(57)21-17-39)59-34-63(53)45-24-13-37(32-45)30-36-7-6-8-42(31-36)60-54(64)48-27-25-46(66-48)52-50(38-14-18-40(56)19-15-38)58-33-62(52)43-9-4-5-10-43/h6-8,11-12,14-23,25-28,31,33-34,37,43,45H,3-5,9-10,13,24,29-30,32H2,1-2H3,(H,60,64)/p+1.
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide has a molecular weight of 900.06 g/mol, XLogP of 12.95, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 163877315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).