1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate

C29H24FN2O3S2- — CID 21058164

IUPAC1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3ccsc3)c3cccs3)cc1F)n2C1CCCCC1
InChIInChI=1S/C29H25FN2O3S2/c30-23-16-21(35-27(19-12-14-36-17-19)26-7-4-13-37-26)9-10-22(23)28-31-24-15-18(29(33)34)8-11-25(24)32(28)20-5-2-1-3-6-20/h4,7-17,20,27H,1-3,5-6H2,(H,33,34)/p-1
InChIKeySDAWOCDEQJMGMC-UHFFFAOYSA-M
MW531.65 g/mol
LogP7.00
Rot. Bonds7

About 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate

1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate (PubChem CID 21058164) has the molecular formula C29H24FN2O3S2- and a molecular weight of 531.65 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate
PubChem CID21058164
Molecular FormulaC29H24FN2O3S2-
Molecular Weight531.65 g/mol
Exact Mass531.12
IUPAC Name1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3ccsc3)c3cccs3)cc1F)n2C1CCCCC1
InChIInChI=1S/C29H25FN2O3S2/c30-23-16-21(35-27(19-12-14-36-17-19)26-7-4-13-37-26)9-10-22(23)28-31-24-15-18(29(33)34)8-11-25(24)32(28)20-5-2-1-3-6-20/h4,7-17,20,27H,1-3,5-6H2,(H,33,34)/p-1
InChIKeySDAWOCDEQJMGMC-UHFFFAOYSA-M
XLogP7.00
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
2-[4-[Bis(4-fluorophenyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10120254
1-Cyclohexyl-2-[4-(5-phenylpentoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10140778
2-(4-Benzhydryloxyphenyl)-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10185481
2-[4-[Bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10209030
2-[4-[Bis(3-fluorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10230544
1-Cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
1-Cyclohexyl-2-[2-fluoro-4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 11845266
2-(4-Benzhydryloxy-2-fluoro-phenyl)-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 15956783
1-Cyclohexyl-2-[3-fluoro-4-[(2-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 11845435
2-(4-Benzyloxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 10158598
1-Cyclopentyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 10184305

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate?
The IUPAC name of 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate (CID 21058164) is 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate.
What is the SMILES notation for 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate?
The canonical SMILES for 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate is O=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3ccsc3)c3cccs3)cc1F)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate?
The InChIKey is SDAWOCDEQJMGMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H25FN2O3S2/c30-23-16-21(35-27(19-12-14-36-17-19)26-7-4-13-37-26)9-10-22(23)28-31-24-15-18(29(33)34)8-11-25(24)32(28)20-5-2-1-3-6-20/h4,7-17,20,27H,1-3,5-6H2,(H,33,34)/p-1.
What are the key properties of 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate?
1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate has a molecular weight of 531.65 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 21058164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).