3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid

C23H20N2O3 — CID 118515880

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C23H20N2O3/c1-2-25-20-15-16(21(26)27)13-14-19(20)24-22(25)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28H,2H2,1H3,(H,26,27)
InChIKeyJDMLRXFKJTVUHN-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.04
Rot. Bonds5

About 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid

3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 118515880) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID118515880
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C23H20N2O3/c1-2-25-20-15-16(21(26)27)13-14-19(20)24-22(25)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28H,2H2,1H3,(H,26,27)
InChIKeyJDMLRXFKJTVUHN-UHFFFAOYSA-N
XLogP4.04
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid (CID 118515880) is 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is JDMLRXFKJTVUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-25-20-15-16(21(26)27)13-14-19(20)24-22(25)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28H,2H2,1H3,(H,26,27).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 118515880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).