N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C18H18BrN3O — CID 16974153

IUPACN-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O/c1-13(23)20-11-10-18-21-16-4-2-3-5-17(16)22(18)12-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyRUWMIQXFLINCTB-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.53
Rot. Bonds5

About N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16974153) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16974153
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC NameN-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O/c1-13(23)20-11-10-18-21-16-4-2-3-5-17(16)22(18)12-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyRUWMIQXFLINCTB-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980397
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16974140
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylbenzamide
CID 16989465
N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987846
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16974153) is N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is RUWMIQXFLINCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-13(23)20-11-10-18-21-16-4-2-3-5-17(16)22(18)12-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 372.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16974153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).