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

C52H46F2N6O4 — CID 154685914

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCC(Cc4cccc(NC(=O)c5ccc(-c6c(-c7ccc(F)cc7)ncn6C6CCCC6)o5)c4)C3)o2)cc1
InChIInChI=1S/C52H46F2N6O4/c1-32-9-20-39(21-10-32)57-51(61)45-25-24-44(64-45)50-48(36-14-18-38(54)19-15-36)56-31-60(50)42-22-11-34(29-42)27-33-5-4-6-40(28-33)58-52(62)46-26-23-43(63-46)49-47(35-12-16-37(53)17-13-35)55-30-59(49)41-7-2-3-8-41/h4-6,9-10,12-21,23-26,28,30-31,34,41-42H,2-3,7-8,11,22,27,29H2,1H3,(H,57,61)(H,58,62)
InChIKeyZIAKVZJSBCWXKN-UHFFFAOYSA-N
MW856.97 g/mol
LogP12.72
Rot. Bonds12

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide (PubChem CID 154685914) has the molecular formula C52H46F2N6O4 and a molecular weight of 856.97 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide
PubChem CID154685914
Molecular FormulaC52H46F2N6O4
Molecular Weight856.97 g/mol
Exact Mass856.35
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCC(Cc4cccc(NC(=O)c5ccc(-c6c(-c7ccc(F)cc7)ncn6C6CCCC6)o5)c4)C3)o2)cc1
InChIInChI=1S/C52H46F2N6O4/c1-32-9-20-39(21-10-32)57-51(61)45-25-24-44(64-45)50-48(36-14-18-38(54)19-15-36)56-31-60(50)42-22-11-34(29-42)27-33-5-4-6-40(28-33)58-52(62)46-26-23-43(63-46)49-47(35-12-16-37(53)17-13-35)55-30-59(49)41-7-2-3-8-41/h4-6,9-10,12-21,23-26,28,30-31,34,41-42H,2-3,7-8,11,22,27,29H2,1H3,(H,57,61)(H,58,62)
InChIKeyZIAKVZJSBCWXKN-UHFFFAOYSA-N
XLogP12.72
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.97
LogP ≤ 512.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-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
N-(2-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036070
N-(4-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036071
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

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide (CID 154685914) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-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-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCC(Cc4cccc(NC(=O)c5ccc(-c6c(-c7ccc(F)cc7)ncn6C6CCCC6)o5)c4)C3)o2)cc1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
The InChIKey is ZIAKVZJSBCWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46F2N6O4/c1-32-9-20-39(21-10-32)57-51(61)45-25-24-44(64-45)50-48(36-14-18-38(54)19-15-36)56-31-60(50)42-22-11-34(29-42)27-33-5-4-6-40(28-33)58-52(62)46-26-23-43(63-46)49-47(35-12-16-37(53)17-13-35)55-30-59(49)41-7-2-3-8-41/h4-6,9-10,12-21,23-26,28,30-31,34,41-42H,2-3,7-8,11,22,27,29H2,1H3,(H,57,61)(H,58,62).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide has a molecular weight of 856.97 g/mol, XLogP of 12.72, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[4-(4-fluorophenyl)-5-[5-[(4-methylphenyl)carbamoyl]furan-2-yl]imidazol-1-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 154685914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).