N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

C54H49F3N6O4 — CID 154685900

IUPACN-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)c(-c4ccc(NC(=O)c5ccc(-c6c(-c7ccc(F)cc7)ncn6C6CCCCC6)o5)c(F)c4)c3)ncn2C2CCCCC2)o1
InChIInChI=1S/C54H49F3N6O4/c1-2-33-11-9-10-16-43(33)60-53(64)47-27-26-46(67-47)52-50(59-32-63(52)39-14-7-4-8-15-39)36-19-23-41(56)40(29-36)35-20-24-44(42(57)30-35)61-54(65)48-28-25-45(66-48)51-49(34-17-21-37(55)22-18-34)58-31-62(51)38-12-5-3-6-13-38/h9-11,16-32,38-39H,2-8,12-15H2,1H3,(H,60,64)(H,61,65)
InChIKeyUUXJHMVFARWCGS-UHFFFAOYSA-N
MW903.02 g/mol
LogP14.10
Rot. Bonds12

About N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685900) has the molecular formula C54H49F3N6O4 and a molecular weight of 903.02 g/mol. Its IUPAC name is N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685900
Molecular FormulaC54H49F3N6O4
Molecular Weight903.02 g/mol
Exact Mass902.38
IUPAC NameN-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)c(-c4ccc(NC(=O)c5ccc(-c6c(-c7ccc(F)cc7)ncn6C6CCCCC6)o5)c(F)c4)c3)ncn2C2CCCCC2)o1
InChIInChI=1S/C54H49F3N6O4/c1-2-33-11-9-10-16-43(33)60-53(64)47-27-26-46(67-47)52-50(59-32-63(52)39-14-7-4-8-15-39)36-19-23-41(56)40(29-36)35-20-24-44(42(57)30-35)61-54(65)48-28-25-45(66-48)51-49(34-17-21-37(55)22-18-34)58-31-62(51)38-12-5-3-6-13-38/h9-11,16-32,38-39H,2-8,12-15H2,1H3,(H,60,64)(H,61,65)
InChIKeyUUXJHMVFARWCGS-UHFFFAOYSA-N
XLogP14.10
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.02
LogP ≤ 514.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-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
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 N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 154685900) is N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is CCc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)c(-c4ccc(NC(=O)c5ccc(-c6c(-c7ccc(F)cc7)ncn6C6CCCCC6)o5)c(F)c4)c3)ncn2C2CCCCC2)o1.
What is the InChIKey of N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is UUXJHMVFARWCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49F3N6O4/c1-2-33-11-9-10-16-43(33)60-53(64)47-27-26-46(67-47)52-50(59-32-63(52)39-14-7-4-8-15-39)36-19-23-41(56)40(29-36)35-20-24-44(42(57)30-35)61-54(65)48-28-25-45(66-48)51-49(34-17-21-37(55)22-18-34)58-31-62(51)38-12-5-3-6-13-38/h9-11,16-32,38-39H,2-8,12-15H2,1H3,(H,60,64)(H,61,65).
What are the key properties of N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 903.02 g/mol, XLogP of 14.10, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).