2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid

C22H20N2O3 — CID 513905

IUPAC2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cc3ccccc3o1)n2C1CCCCC1
InChIInChI=1S/C22H20N2O3/c25-22(26)15-10-11-18-17(12-15)23-21(24(18)16-7-2-1-3-8-16)20-13-14-6-4-5-9-19(14)27-20/h4-6,9-13,16H,1-3,7-8H2,(H,25,26)
InChIKeyCRCUYFNJFFPTDM-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.65
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid

2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid (PubChem CID 513905) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid
PubChem CID513905
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cc3ccccc3o1)n2C1CCCCC1
InChIInChI=1S/C22H20N2O3/c25-22(26)15-10-11-18-17(12-15)23-21(24(18)16-7-2-1-3-8-16)20-13-14-6-4-5-9-19(14)27-20/h4-6,9-13,16H,1-3,7-8H2,(H,25,26)
InChIKeyCRCUYFNJFFPTDM-UHFFFAOYSA-N
XLogP5.65
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid (CID 513905) is 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cc3ccccc3o1)n2C1CCCCC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
The InChIKey is CRCUYFNJFFPTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-22(26)15-10-11-18-17(12-15)23-21(24(18)16-7-2-1-3-8-16)20-13-14-6-4-5-9-19(14)27-20/h4-6,9-13,16H,1-3,7-8H2,(H,25,26).
What are the key properties of 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid?
2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 513905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).