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

C52H45ClF2N6O4 — CID 154685909

IUPACN-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3Cc3ccc(NC(=O)c4ccc(-c5c(-c6ccc(F)cc6)ncn5C5CCCC5)o4)cc3Cl)ncn2C2CCCC2)o1
InChIInChI=1S/C52H45ClF2N6O4/c1-31-8-2-7-13-42(31)59-52(63)46-25-23-44(65-46)50-48(57-30-61(50)39-11-5-6-12-39)40-21-19-36(55)27-34(40)26-33-16-20-37(28-41(33)53)58-51(62)45-24-22-43(64-45)49-47(32-14-17-35(54)18-15-32)56-29-60(49)38-9-3-4-10-38/h2,7-8,13-25,27-30,38-39H,3-6,9-12,26H2,1H3,(H,58,62)(H,59,63)
InChIKeyBGLVZZXJUOVCCU-UHFFFAOYSA-N
MW891.42 g/mol
LogP13.50
Rot. Bonds12

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

N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685909) has the molecular formula C52H45ClF2N6O4 and a molecular weight of 891.42 g/mol. Its IUPAC name is N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685909
Molecular FormulaC52H45ClF2N6O4
Molecular Weight891.42 g/mol
Exact Mass890.32
IUPAC NameN-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3Cc3ccc(NC(=O)c4ccc(-c5c(-c6ccc(F)cc6)ncn5C5CCCC5)o4)cc3Cl)ncn2C2CCCC2)o1
InChIInChI=1S/C52H45ClF2N6O4/c1-31-8-2-7-13-42(31)59-52(63)46-25-23-44(65-46)50-48(57-30-61(50)39-11-5-6-12-39)40-21-19-36(55)27-34(40)26-33-16-20-37(28-41(33)53)58-51(62)45-24-22-43(64-45)49-47(32-14-17-35(54)18-15-32)56-29-60(49)38-9-3-4-10-38/h2,7-8,13-25,27-30,38-39H,3-6,9-12,26H2,1H3,(H,58,62)(H,59,63)
InChIKeyBGLVZZXJUOVCCU-UHFFFAOYSA-N
XLogP13.50
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.42
LogP ≤ 513.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-(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
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 53036103
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-methylphenyl)furan-2-carboxamide
CID 53036104

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 154685909) is N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is Cc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3Cc3ccc(NC(=O)c4ccc(-c5c(-c6ccc(F)cc6)ncn5C5CCCC5)o4)cc3Cl)ncn2C2CCCC2)o1.
What is the InChIKey of N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is BGLVZZXJUOVCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45ClF2N6O4/c1-31-8-2-7-13-42(31)59-52(63)46-25-23-44(65-46)50-48(57-30-61(50)39-11-5-6-12-39)40-21-19-36(55)27-34(40)26-33-16-20-37(28-41(33)53)58-51(62)45-24-22-43(64-45)49-47(32-14-17-35(54)18-15-32)56-29-60(49)38-9-3-4-10-38/h2,7-8,13-25,27-30,38-39H,3-6,9-12,26H2,1H3,(H,58,62)(H,59,63).
What are the key properties of N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 891.42 g/mol, XLogP of 13.50, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[2-[1-cyclopentyl-5-[5-[(2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]methyl]phenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).