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

C23H19ClN2O3 — CID 126726514

IUPAC7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(Cl)cc(C(=O)O)cc21
InChIInChI=1S/C23H19ClN2O3/c1-2-26-19-14-15(21(27)28)13-18(24)20(19)25-22(26)23(29,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,29H,2H2,1H3,(H,27,28)
InChIKeyCYPANNGLEVFHSU-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.69
Rot. Bonds5

About 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid

7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 126726514) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID126726514
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(Cl)cc(C(=O)O)cc21
InChIInChI=1S/C23H19ClN2O3/c1-2-26-19-14-15(21(27)28)13-18(24)20(19)25-22(26)23(29,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,29H,2H2,1H3,(H,27,28)
InChIKeyCYPANNGLEVFHSU-UHFFFAOYSA-N
XLogP4.69
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid (CID 126726514) is 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(Cl)cc(C(=O)O)cc21.
What is the InChIKey of 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is CYPANNGLEVFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-26-19-14-15(21(27)28)13-18(24)20(19)25-22(26)23(29,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,29H,2H2,1H3,(H,27,28).
What are the key properties of 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid?
7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 406.87 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 126726514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).