2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide

C25H23F2N3O2 — CID 126729829

IUPAC2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(=O)NC)cc21
InChIInChI=1S/C25H23F2N3O2/c1-3-30-21-16-19(25(26,27)23(31)28-2)14-15-20(21)29-22(30)24(32,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,32H,3H2,1-2H3,(H,28,31)
InChIKeyIDVGJIGREYXYMI-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.18
Rot. Bonds6

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

2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide (PubChem CID 126729829) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
PubChem CID126729829
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(=O)NC)cc21
InChIInChI=1S/C25H23F2N3O2/c1-3-30-21-16-19(25(26,27)23(31)28-2)14-15-20(21)29-22(30)24(32,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,32H,3H2,1-2H3,(H,28,31)
InChIKeyIDVGJIGREYXYMI-UHFFFAOYSA-N
XLogP4.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.18
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-difluoro-N-methylacetamide?
The IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide (CID 126729829) is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide?
The canonical SMILES for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)C(=O)NC)cc21.
What is the InChIKey of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide?
The InChIKey is IDVGJIGREYXYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-3-30-21-16-19(25(26,27)23(31)28-2)14-15-20(21)29-22(30)24(32,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,32H,3H2,1-2H3,(H,28,31).
What are the key properties of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide?
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide has a molecular weight of 435.47 g/mol, XLogP of 4.18, 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-difluoro-N-methylacetamide is sourced from PubChem (CID 126729829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).