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

C14H16BrN3O — CID 16974140

IUPACN-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
SMILESC=C(Br)Cn1c(CCNC(C)=O)nc2ccccc21
InChIInChI=1S/C14H16BrN3O/c1-10(15)9-18-13-6-4-3-5-12(13)17-14(18)7-8-16-11(2)19/h3-6H,1,7-9H2,2H3,(H,16,19)
InChIKeySMHRCUDMUSJNHS-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.62
Rot. Bonds5

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

N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16974140) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16974140
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
SMILESC=C(Br)Cn1c(CCNC(C)=O)nc2ccccc21
InChIInChI=1S/C14H16BrN3O/c1-10(15)9-18-13-6-4-3-5-12(13)17-14(18)7-8-16-11(2)19/h3-6H,1,7-9H2,2H3,(H,16,19)
InChIKeySMHRCUDMUSJNHS-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980366
propan-2-yl 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]acetate
CID 16974242
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide
CID 16979232
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974153
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 751338
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide (CID 16974140) is N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide is C=C(Br)Cn1c(CCNC(C)=O)nc2ccccc21.
What is the InChIKey of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is SMHRCUDMUSJNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(15)9-18-13-6-4-3-5-12(13)17-14(18)7-8-16-11(2)19/h3-6H,1,7-9H2,2H3,(H,16,19).
What are the key properties of N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 322.21 g/mol, XLogP of 2.62, 5 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]acetamide is sourced from PubChem (CID 16974140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).