2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide

C17H15F2N3O2 — CID 110897803

IUPAC2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
SMILESNC(=O)Cc1nc2ccccc2n1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c18-11-6-5-10(7-12(11)19)15(23)9-22-14-4-2-1-3-13(14)21-17(22)8-16(20)24/h1-7,15,23H,8-9H2,(H2,20,24)
InChIKeyPCBXJTGEKVDVKO-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.08
Rot. Bonds5

About 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide

2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide (PubChem CID 110897803) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
PubChem CID110897803
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
SMILESNC(=O)Cc1nc2ccccc2n1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c18-11-6-5-10(7-12(11)19)15(23)9-22-14-4-2-1-3-13(14)21-17(22)8-16(20)24/h1-7,15,23H,8-9H2,(H2,20,24)
InChIKeyPCBXJTGEKVDVKO-UHFFFAOYSA-N
XLogP2.08
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 110897801
N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 25341478
N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 25369283
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
CID 25406903
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17471163
3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-oxophthalazine-1-carboxamide
CID 110897787
(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379798
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11567786
1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 111629898

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide (CID 110897803) is 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide is NC(=O)Cc1nc2ccccc2n1CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The InChIKey is PCBXJTGEKVDVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-11-6-5-10(7-12(11)19)15(23)9-22-14-4-2-1-3-13(14)21-17(22)8-16(20)24/h1-7,15,23H,8-9H2,(H2,20,24).
What are the key properties of 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide has a molecular weight of 331.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 110897803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).