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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Related Compounds

N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide
CID 126729861
(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
CID 118516006
(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
CID 126726341
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide
CID 159797522
3-ethyl-N-[(2R)-4-fluoro-2-hydroxy-4-methylpentyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 135290976
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
CID 126726519
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 126726272
tert-butyl 4-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonyl]piperazine-1-carboxylate
CID 118516021
[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
CID 118519218
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxy-3-methoxypropyl]benzimidazole-5-carboxamide
CID 126726531

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).