4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide

C37H37ClFN3O2 — CID 141026519

IUPAC4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4ccccc4n3C3CCCCC3)c(F)c2)c1
InChIInChI=1S/C37H37ClFN3O2/c1-3-41(4-2)37(43)26-16-20-31(25-14-17-28(38)18-15-25)27(22-26)24-44-30-19-21-32(33(39)23-30)36-40-34-12-8-9-13-35(34)42(36)29-10-6-5-7-11-29/h8-9,12-23,29H,3-7,10-11,24H2,1-2H3
InChIKeyFLAJWMBBDKIMBX-UHFFFAOYSA-N
MW610.17 g/mol
LogP9.73
Rot. Bonds9

About 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide

4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide (PubChem CID 141026519) has the molecular formula C37H37ClFN3O2 and a molecular weight of 610.17 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide
PubChem CID141026519
Molecular FormulaC37H37ClFN3O2
Molecular Weight610.17 g/mol
Exact Mass609.26
IUPAC Name4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4ccccc4n3C3CCCCC3)c(F)c2)c1
InChIInChI=1S/C37H37ClFN3O2/c1-3-41(4-2)37(43)26-16-20-31(25-14-17-28(38)18-15-25)27(22-26)24-44-30-19-21-32(33(39)23-30)36-40-34-12-8-9-13-35(34)42(36)29-10-6-5-7-11-29/h8-9,12-23,29H,3-7,10-11,24H2,1-2H3
InChIKeyFLAJWMBBDKIMBX-UHFFFAOYSA-N
XLogP9.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.17
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide with MolForge

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Related Compounds

Jtk-109
CID 11686018
2-[4-[[2-(4-Chlorophenyl)-5-methoxy-phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 504693
2-[4-[[2-(4-Chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 513150
2-[4-[[5-Chloro-2-(p-tolyl)phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10143976
2-[4-[Bis(4-chlorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10144617
2-[4-[[5-Chloro-2-(3-chlorophenyl)phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10144618
2-[4-[[5-Chloro-2-(4-methoxyphenyl)phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10188077
2-[4-[[5-Chloro-2-(4-chlorophenyl)phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10188179
2-[4-[[2-(4-Chlorophenyl)-5-(dimethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11845101
2-[4-[[2-(4-Chlorophenyl)-4-(dimethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11845103
2-[4-[[2-(4-Chlorophenyl)-5-(methylcarbamoyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11845436
2-[4-[[2-(4-Chlorophenyl)-5-(propylcarbamoyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11845616

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide (CID 141026519) is 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4ccccc4n3C3CCCCC3)c(F)c2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide?
The InChIKey is FLAJWMBBDKIMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37ClFN3O2/c1-3-41(4-2)37(43)26-16-20-31(25-14-17-28(38)18-15-25)27(22-26)24-44-30-19-21-32(33(39)23-30)36-40-34-12-8-9-13-35(34)42(36)29-10-6-5-7-11-29/h8-9,12-23,29H,3-7,10-11,24H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide?
4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide has a molecular weight of 610.17 g/mol, XLogP of 9.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 141026519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).