3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile

C23H18FN3O — CID 126726254

IUPAC3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(F)c(C#N)c21
InChIInChI=1S/C23H18FN3O/c1-2-27-21-18(15-25)19(24)13-14-20(21)26-22(27)23(28,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,28H,2H2,1H3
InChIKeyAJTFBQQGTVNIAQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.35
Rot. Bonds4

About 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile

3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile (PubChem CID 126726254) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile
PubChem CID126726254
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(F)c(C#N)c21
InChIInChI=1S/C23H18FN3O/c1-2-27-21-18(15-25)19(24)13-14-20(21)26-22(27)23(28,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,28H,2H2,1H3
InChIKeyAJTFBQQGTVNIAQ-UHFFFAOYSA-N
XLogP4.35
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile 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 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile?
The IUPAC name of 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile (CID 126726254) is 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(F)c(C#N)c21.
What is the InChIKey of 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile?
The InChIKey is AJTFBQQGTVNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-2-27-21-18(15-25)19(24)13-14-20(21)26-22(27)23(28,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,28H,2H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile?
3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile has a molecular weight of 371.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 126726254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).