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

C23H19N3O — CID 118516013

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C#N)cc21
InChIInChI=1S/C23H19N3O/c1-2-26-21-15-17(16-24)13-14-20(21)25-22(26)23(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,2H2,1H3
InChIKeyBSNPBTKLUOUUMZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.21
Rot. Bonds4

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

3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile (PubChem CID 118516013) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile
PubChem CID118516013
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C#N)cc21
InChIInChI=1S/C23H19N3O/c1-2-26-21-15-17(16-24)13-14-20(21)25-22(26)23(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,2H2,1H3
InChIKeyBSNPBTKLUOUUMZ-UHFFFAOYSA-N
XLogP4.21
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
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-carbonitrile?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile (CID 118516013) is 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C#N)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is BSNPBTKLUOUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-2-26-21-15-17(16-24)13-14-20(21)25-22(26)23(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,2H2,1H3.
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile?
3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 118516013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).