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

C29H25FN2O3S2 — CID 21058165

IUPAC1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid
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)
InChIKeySDAWOCDEQJMGMC-UHFFFAOYSA-N
MW532.66 g/mol
LogP8.34
Rot. Bonds7

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

1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 21058165) has the molecular formula C29H25FN2O3S2 and a molecular weight of 532.66 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid
PubChem CID21058165
Molecular FormulaC29H25FN2O3S2
Molecular Weight532.66 g/mol
Exact Mass532.13
IUPAC Name1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid
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)
InChIKeySDAWOCDEQJMGMC-UHFFFAOYSA-N
XLogP8.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

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-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid (CID 21058165) is 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid 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-carboxylic acid?
The InChIKey is SDAWOCDEQJMGMC-UHFFFAOYSA-N. 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).
What are the key properties of 1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[2-fluoro-4-[thiophen-2-yl(thiophen-3-yl)methoxy]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 532.66 g/mol, XLogP of 8.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-carboxylic acid is sourced from PubChem (CID 21058165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).