4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

C25H24BrN3O2 — CID 16984748

IUPAC4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccc(Cn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H24BrN3O2/c1-31-21-14-8-18(9-15-21)17-29-23-6-3-2-5-22(23)28-24(29)7-4-16-27-25(30)19-10-12-20(26)13-11-19/h2-3,5-6,8-15H,4,7,16-17H2,1H3,(H,27,30)
InChIKeyYKKGKDXPLYEUOY-UHFFFAOYSA-N
MW478.39 g/mol
LogP5.22
Rot. Bonds8

About 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984748) has the molecular formula C25H24BrN3O2 and a molecular weight of 478.39 g/mol. Its IUPAC name is 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16984748
Molecular FormulaC25H24BrN3O2
Molecular Weight478.39 g/mol
Exact Mass477.11
IUPAC Name4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccc(Cn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H24BrN3O2/c1-31-21-14-8-18(9-15-21)17-29-23-6-3-2-5-22(23)28-24(29)7-4-16-27-25(30)19-10-12-20(26)13-11-19/h2-3,5-6,8-15H,4,7,16-17H2,1H3,(H,27,30)
InChIKeyYKKGKDXPLYEUOY-UHFFFAOYSA-N
XLogP5.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991579
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982069
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984734

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16984748) is 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is COc1ccc(Cn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is YKKGKDXPLYEUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O2/c1-31-21-14-8-18(9-15-21)17-29-23-6-3-2-5-22(23)28-24(29)7-4-16-27-25(30)19-10-12-20(26)13-11-19/h2-3,5-6,8-15H,4,7,16-17H2,1H3,(H,27,30).
What are the key properties of 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 478.39 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).