4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide

C30H28BrN3O — CID 16991579

IUPAC4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C30H28BrN3O/c31-26-17-15-24(16-18-26)30(35)32-19-7-1-2-12-29-33-27-10-5-6-11-28(27)34(29)21-22-13-14-23-8-3-4-9-25(23)20-22/h3-6,8-11,13-18,20H,1-2,7,12,19,21H2,(H,32,35)
InChIKeyNPYULHMARCRAMF-UHFFFAOYSA-N
MW526.48 g/mol
LogP7.14
Rot. Bonds9

About 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide

4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991579) has the molecular formula C30H28BrN3O and a molecular weight of 526.48 g/mol. Its IUPAC name is 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991579
Molecular FormulaC30H28BrN3O
Molecular Weight526.48 g/mol
Exact Mass525.14
IUPAC Name4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C30H28BrN3O/c31-26-17-15-24(16-18-26)30(35)32-19-7-1-2-12-29-33-27-10-5-6-11-28(27)34(29)21-22-13-14-23-8-3-4-9-25(23)20-22/h3-6,8-11,13-18,20H,1-2,7,12,19,21H2,(H,32,35)
InChIKeyNPYULHMARCRAMF-UHFFFAOYSA-N
XLogP7.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.48
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
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
3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990931
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
CID 16991408
2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide
CID 16988663
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylbenzamide
CID 16989465
4-bromo-N-[5-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991539
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991579) is 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide is O=C(NCCCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is NPYULHMARCRAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrN3O/c31-26-17-15-24(16-18-26)30(35)32-19-7-1-2-12-29-33-27-10-5-6-11-28(27)34(29)21-22-13-14-23-8-3-4-9-25(23)20-22/h3-6,8-11,13-18,20H,1-2,7,12,19,21H2,(H,32,35).
What are the key properties of 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 526.48 g/mol, XLogP of 7.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).