N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide

C11H11F2N3O — CID 110477254

IUPACN-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C11H11F2N3O/c1-6(17)14-5-4-9-15-8-3-2-7(12)10(13)11(8)16-9/h2-3H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeySNXGWKFWPBOJLI-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.52
Rot. Bonds3

About N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide

N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 110477254) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID110477254
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC NameN-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C11H11F2N3O/c1-6(17)14-5-4-9-15-8-3-2-7(12)10(13)11(8)16-9/h2-3H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeySNXGWKFWPBOJLI-UHFFFAOYSA-N
XLogP1.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea
CID 110478751
2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide
CID 167927042
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
2-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 107272709
5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide
CID 166280144
2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
CID 115911936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide (CID 110477254) is N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide is CC(=O)NCCc1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is SNXGWKFWPBOJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6(17)14-5-4-9-15-8-3-2-7(12)10(13)11(8)16-9/h2-3H,4-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 239.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110477254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).