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

C24H22BrN3O — CID 16978942

IUPACN-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C24H22BrN3O/c25-20-12-10-19(11-13-20)17-28-22-9-5-4-8-21(22)27-23(28)14-15-26-24(29)16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,26,29)
InChIKeyPJBYUJGNVIHNGS-UHFFFAOYSA-N
MW448.36 g/mol
LogP4.75
Rot. Bonds7

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

N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16978942) has the molecular formula C24H22BrN3O and a molecular weight of 448.36 g/mol. Its IUPAC name is N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
PubChem CID16978942
Molecular FormulaC24H22BrN3O
Molecular Weight448.36 g/mol
Exact Mass447.09
IUPAC NameN-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C24H22BrN3O/c25-20-12-10-19(11-13-20)17-28-22-9-5-4-8-21(22)27-23(28)14-15-26-24(29)16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,26,29)
InChIKeyPJBYUJGNVIHNGS-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974153
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980397
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985850
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 16974552
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16978942) is N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is PJBYUJGNVIHNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O/c25-20-12-10-19(11-13-20)17-28-22-9-5-4-8-21(22)27-23(28)14-15-26-24(29)16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,26,29).
What are the key properties of N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 448.36 g/mol, XLogP of 4.75, 7 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]-2-phenylacetamide is sourced from PubChem (CID 16978942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).