3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide

C29H26BrN3O2 — CID 16977834

IUPAC3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C29H26BrN3O2/c30-24-10-5-9-23(19-24)29(34)31-16-15-28-32-26-11-3-4-12-27(26)33(28)17-6-18-35-25-14-13-21-7-1-2-8-22(21)20-25/h1-5,7-14,19-20H,6,15-18H2,(H,31,34)
InChIKeyVAWUJYPNCIDEFX-UHFFFAOYSA-N
MW528.45 g/mol
LogP6.39
Rot. Bonds9

About 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide

3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977834) has the molecular formula C29H26BrN3O2 and a molecular weight of 528.45 g/mol. Its IUPAC name is 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977834
Molecular FormulaC29H26BrN3O2
Molecular Weight528.45 g/mol
Exact Mass527.12
IUPAC Name3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C29H26BrN3O2/c30-24-10-5-9-23(19-24)29(34)31-16-15-28-32-26-11-3-4-12-27(26)33(28)17-6-18-35-25-14-13-21-7-1-2-8-22(21)20-25/h1-5,7-14,19-20H,6,15-18H2,(H,31,34)
InChIKeyVAWUJYPNCIDEFX-UHFFFAOYSA-N
XLogP6.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.45
LogP ≤ 56.39
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

3-bromo-N-[3-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983393
3-bromo-N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977819
3,4-dimethoxy-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976918
3-bromo-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983366
3-bromo-N-[3-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983370
3-bromo-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008145
N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975660
3-bromo-N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990630
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
2-methyl-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980464
4-bromo-N-[2-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977526
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide (CID 16977834) is 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is VAWUJYPNCIDEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrN3O2/c30-24-10-5-9-23(19-24)29(34)31-16-15-28-32-26-11-3-4-12-27(26)33(28)17-6-18-35-25-14-13-21-7-1-2-8-22(21)20-25/h1-5,7-14,19-20H,6,15-18H2,(H,31,34).
What are the key properties of 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 528.45 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).