2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile

C24H20FN3O — CID 118515982

IUPAC2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC#N)c(F)c21
InChIInChI=1S/C24H20FN3O/c1-2-28-22-20(14-13-17(15-16-26)21(22)25)27-23(28)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,29H,2,15H2,1H3
InChIKeyFNHFEBYJFXVWAM-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.55
Rot. Bonds5

About 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile

2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile (PubChem CID 118515982) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
PubChem CID118515982
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC#N)c(F)c21
InChIInChI=1S/C24H20FN3O/c1-2-28-22-20(14-13-17(15-16-26)21(22)25)27-23(28)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,29H,2,15H2,1H3
InChIKeyFNHFEBYJFXVWAM-UHFFFAOYSA-N
XLogP4.55
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile (CID 118515982) is 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC#N)c(F)c21.
What is the InChIKey of 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
The InChIKey is FNHFEBYJFXVWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-2-28-22-20(14-13-17(15-16-26)21(22)25)27-23(28)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,29H,2,15H2,1H3.
What are the key properties of 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile has a molecular weight of 385.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile is sourced from PubChem (CID 118515982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).