N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide

C15H18BrN3O — CID 16980523

IUPACN-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
SMILESC=C(Br)Cn1c(CCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C15H18BrN3O/c1-11(16)10-19-14-7-4-3-6-13(14)18-15(19)8-5-9-17-12(2)20/h3-4,6-7H,1,5,8-10H2,2H3,(H,17,20)
InChIKeyGHACDMFMIRQXIR-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.01
Rot. Bonds6

About N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide

N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide (PubChem CID 16980523) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
PubChem CID16980523
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
SMILESC=C(Br)Cn1c(CCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C15H18BrN3O/c1-11(16)10-19-14-7-4-3-6-13(14)18-15(19)8-5-9-17-12(2)20/h3-4,6-7H,1,5,8-10H2,2H3,(H,17,20)
InChIKeyGHACDMFMIRQXIR-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966177
propan-2-yl 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]acetate
CID 16980658
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16987013
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide (CID 16980523) is N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide is C=C(Br)Cn1c(CCCNC(C)=O)nc2ccccc21.
What is the InChIKey of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide?
The InChIKey is GHACDMFMIRQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(16)10-19-14-7-4-3-6-13(14)18-15(19)8-5-9-17-12(2)20/h3-4,6-7H,1,5,8-10H2,2H3,(H,17,20).
What are the key properties of N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide?
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16980523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).