N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C26H24BrN3O — CID 16971556

IUPACN-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESC=C(Br)Cn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C26H24BrN3O/c1-18(27)17-30-24-11-7-6-10-23(24)29-26(30)19(2)28-25(31)16-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19H,1,16-17H2,2H3,(H,28,31)
InChIKeyCOIZVPXVSNGANI-UHFFFAOYSA-N
MW474.40 g/mol
LogP6.03
Rot. Bonds7

About N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971556) has the molecular formula C26H24BrN3O and a molecular weight of 474.40 g/mol. Its IUPAC name is N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16971556
Molecular FormulaC26H24BrN3O
Molecular Weight474.40 g/mol
Exact Mass473.11
IUPAC NameN-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESC=C(Br)Cn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C26H24BrN3O/c1-18(27)17-30-24-11-7-6-10-23(24)29-26(30)19(2)28-25(31)16-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19H,1,16-17H2,2H3,(H,28,31)
InChIKeyCOIZVPXVSNGANI-UHFFFAOYSA-N
XLogP6.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16972830
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971693
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009305
N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971603
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971629
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16971556) is N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is C=C(Br)Cn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is COIZVPXVSNGANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O/c1-18(27)17-30-24-11-7-6-10-23(24)29-26(30)19(2)28-25(31)16-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19H,1,16-17H2,2H3,(H,28,31).
What are the key properties of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 474.40 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).