N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide

C24H22BrN3O — CID 16970620

IUPACN-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C24H22BrN3O/c25-20-10-6-9-19(15-20)17-28-22-12-5-4-11-21(22)27-23(28)16-26-24(29)14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,26,29)
InChIKeyMKWOKLKOWMJPPA-UHFFFAOYSA-N
MW448.36 g/mol
LogP5.10
Rot. Bonds7

About N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide

N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide (PubChem CID 16970620) has the molecular formula C24H22BrN3O and a molecular weight of 448.36 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
PubChem CID16970620
Molecular FormulaC24H22BrN3O
Molecular Weight448.36 g/mol
Exact Mass447.09
IUPAC NameN-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C24H22BrN3O/c25-20-10-6-9-19(15-20)17-28-22-12-5-4-11-21(22)27-23(28)16-26-24(29)14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,26,29)
InChIKeyMKWOKLKOWMJPPA-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980234
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970632
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970706
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 16978794
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965721

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide (CID 16970620) is N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1nc2ccccc2n1Cc1cccc(Br)c1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is MKWOKLKOWMJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O/c25-20-10-6-9-19(15-20)17-28-22-12-5-4-11-21(22)27-23(28)16-26-24(29)14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,26,29).
What are the key properties of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 448.36 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 16970620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).