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

C20H19BrClN3O — CID 16979232

IUPACN-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide
SMILESC=C(Br)Cn1c(CCNC(=O)Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H19BrClN3O/c1-14(21)13-25-18-9-5-4-8-17(18)24-19(25)10-11-23-20(26)12-15-6-2-3-7-16(15)22/h2-9H,1,10-13H2,(H,23,26)
InChIKeyHPYJUHLWSWMJIF-UHFFFAOYSA-N
MW432.75 g/mol
LogP4.50
Rot. Bonds7

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

N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide (PubChem CID 16979232) has the molecular formula C20H19BrClN3O and a molecular weight of 432.75 g/mol. Its IUPAC name is N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide
PubChem CID16979232
Molecular FormulaC20H19BrClN3O
Molecular Weight432.75 g/mol
Exact Mass431.04
IUPAC NameN-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide
SMILESC=C(Br)Cn1c(CCNC(=O)Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H19BrClN3O/c1-14(21)13-25-18-9-5-4-8-17(18)24-19(25)10-11-23-20(26)12-15-6-2-3-7-16(15)22/h2-9H,1,10-13H2,(H,23,26)
InChIKeyHPYJUHLWSWMJIF-UHFFFAOYSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979261
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16974140
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980366
2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993786
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985317
2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993774

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide (CID 16979232) is N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide is C=C(Br)Cn1c(CCNC(=O)Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is HPYJUHLWSWMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O/c1-14(21)13-25-18-9-5-4-8-17(18)24-19(25)10-11-23-20(26)12-15-6-2-3-7-16(15)22/h2-9H,1,10-13H2,(H,23,26).
What are the key properties of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide?
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 432.75 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 16979232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).