N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

C55H51ClF2N6O4 — CID 154685925

IUPACN-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)c(Cc5ccc(NC(=O)c6ccc(-c7c(-c8ccc(F)cc8)ncn7C7CCCCC7)o6)c(Cl)c5)c4)ncn3C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C55H51ClF2N6O4/c1-33-13-21-44(34(2)27-33)61-54(65)48-25-24-47(68-48)53-51(60-32-64(53)41-11-7-4-8-12-41)37-17-20-43(58)38(30-37)28-35-14-22-45(42(56)29-35)62-55(66)49-26-23-46(67-49)52-50(36-15-18-39(57)19-16-36)59-31-63(52)40-9-5-3-6-10-40/h13-27,29-32,40-41H,3-12,28H2,1-2H3,(H,61,65)(H,62,66)
InChIKeyRXTKBMFAJJUSJR-UHFFFAOYSA-N
MW933.50 g/mol
LogP14.59
Rot. Bonds12

About N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685925) has the molecular formula C55H51ClF2N6O4 and a molecular weight of 933.50 g/mol. Its IUPAC name is N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685925
Molecular FormulaC55H51ClF2N6O4
Molecular Weight933.50 g/mol
Exact Mass932.36
IUPAC NameN-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)c(Cc5ccc(NC(=O)c6ccc(-c7c(-c8ccc(F)cc8)ncn7C7CCCCC7)o6)c(Cl)c5)c4)ncn3C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C55H51ClF2N6O4/c1-33-13-21-44(34(2)27-33)61-54(65)48-25-24-47(68-48)53-51(60-32-64(53)41-11-7-4-8-12-41)37-17-20-43(58)38(30-37)28-35-14-22-45(42(56)29-35)62-55(66)49-26-23-46(67-49)52-50(36-15-18-39(57)19-16-36)59-31-63(52)40-9-5-3-6-10-40/h13-27,29-32,40-41H,3-12,28H2,1-2H3,(H,61,65)(H,62,66)
InChIKeyRXTKBMFAJJUSJR-UHFFFAOYSA-N
XLogP14.59
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.50
LogP ≤ 514.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]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
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-(2,6-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-(2,4-dimethylphenyl)furan-2-carboxamide
CID 53036088
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 53036098

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 154685925) is N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)c(Cc5ccc(NC(=O)c6ccc(-c7c(-c8ccc(F)cc8)ncn7C7CCCCC7)o6)c(Cl)c5)c4)ncn3C3CCCCC3)o2)c(C)c1.
What is the InChIKey of N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is RXTKBMFAJJUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51ClF2N6O4/c1-33-13-21-44(34(2)27-33)61-54(65)48-25-24-47(68-48)53-51(60-32-64(53)41-11-7-4-8-12-41)37-17-20-43(58)38(30-37)28-35-14-22-45(42(56)29-35)62-55(66)49-26-23-46(67-49)52-50(36-15-18-39(57)19-16-36)59-31-63(52)40-9-5-3-6-10-40/h13-27,29-32,40-41H,3-12,28H2,1-2H3,(H,61,65)(H,62,66).
What are the key properties of N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 933.50 g/mol, XLogP of 14.59, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[5-[1-cyclohexyl-5-[5-[(2,4-dimethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]methyl]phenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).