2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide

C24H21F2N3O2 — CID 126726526

IUPAC2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(N)=O)cc21
InChIInChI=1S/C24H21F2N3O2/c1-2-29-20-15-18(24(25,26)21(27)30)13-14-19(20)28-22(29)23(31,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,31H,2H2,1H3,(H2,27,30)
InChIKeySIXBPZSWUNHFNZ-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.92
Rot. Bonds6

About 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide

2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide (PubChem CID 126726526) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide
PubChem CID126726526
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(N)=O)cc21
InChIInChI=1S/C24H21F2N3O2/c1-2-29-20-15-18(24(25,26)21(27)30)13-14-19(20)28-22(29)23(31,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,31H,2H2,1H3,(H2,27,30)
InChIKeySIXBPZSWUNHFNZ-UHFFFAOYSA-N
XLogP3.92
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide?
The IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide (CID 126726526) is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide?
The canonical SMILES for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(N)=O)cc21.
What is the InChIKey of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide?
The InChIKey is SIXBPZSWUNHFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-2-29-20-15-18(24(25,26)21(27)30)13-14-19(20)28-22(29)23(31,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,31H,2H2,1H3,(H2,27,30).
What are the key properties of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide?
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide has a molecular weight of 421.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 126726526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).