2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide

C27H26FN3O2 — CID 40837749

IUPAC2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide
SMILESCOC[C@@H](C)N(C(=O)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C27H26FN3O2/c1-20(19-33-2)31(23-8-4-3-5-9-23)27(32)18-30-25-11-7-6-10-24(25)29-26(30)17-14-21-12-15-22(28)16-13-21/h3-17,20H,18-19H2,1-2H3/b17-14+/t20-/m1/s1
InChIKeyDKLZKTDAVFSOFE-BBKFTCMMSA-N
MW443.52 g/mol
LogP5.41
Rot. Bonds8

About 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide

2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide (PubChem CID 40837749) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide
PubChem CID40837749
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide
SMILESCOC[C@@H](C)N(C(=O)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C27H26FN3O2/c1-20(19-33-2)31(23-8-4-3-5-9-23)27(32)18-30-25-11-7-6-10-24(25)29-26(30)17-14-21-12-15-22(28)16-13-21/h3-17,20H,18-19H2,1-2H3/b17-14+/t20-/m1/s1
InChIKeyDKLZKTDAVFSOFE-BBKFTCMMSA-N
XLogP5.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 3282513
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole
CID 2930485
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole
CID 5293130
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide
CID 17000002
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline
CID 5135416
2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 5089305

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide (CID 40837749) is 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide is COC[C@@H](C)N(C(=O)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide?
The InChIKey is DKLZKTDAVFSOFE-BBKFTCMMSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-20(19-33-2)31(23-8-4-3-5-9-23)27(32)18-30-25-11-7-6-10-24(25)29-26(30)17-14-21-12-15-22(28)16-13-21/h3-17,20H,18-19H2,1-2H3/b17-14+/t20-/m1/s1.
What are the key properties of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide?
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide has a molecular weight of 443.52 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide is sourced from PubChem (CID 40837749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).