4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide

C26H25BrClN3O2 — CID 17009417

IUPAC4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1CCCCOc1ccccc1Cl
InChIInChI=1S/C26H25BrClN3O2/c1-18(29-26(32)19-12-14-20(27)15-13-19)25-30-22-9-3-4-10-23(22)31(25)16-6-7-17-33-24-11-5-2-8-21(24)28/h2-5,8-15,18H,6-7,16-17H2,1H3,(H,29,32)
InChIKeyUTRMOPMCNKAGRO-UHFFFAOYSA-N
MW526.86 g/mol
LogP6.80
Rot. Bonds9

About 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide

4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009417) has the molecular formula C26H25BrClN3O2 and a molecular weight of 526.86 g/mol. Its IUPAC name is 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009417
Molecular FormulaC26H25BrClN3O2
Molecular Weight526.86 g/mol
Exact Mass525.08
IUPAC Name4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1CCCCOc1ccccc1Cl
InChIInChI=1S/C26H25BrClN3O2/c1-18(29-26(32)19-12-14-20(27)15-13-19)25-30-22-9-3-4-10-23(22)31(25)16-6-7-17-33-24-11-5-2-8-21(24)28/h2-5,8-15,18H,6-7,16-17H2,1H3,(H,29,32)
InChIKeyUTRMOPMCNKAGRO-UHFFFAOYSA-N
XLogP6.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.86
LogP ≤ 56.80
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

4-bromo-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009407
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222
4-bromo-N-[1-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009411
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966746
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407
4-bromo-N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009403
3-chloro-N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010465
4-bromo-N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009226
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009430
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009417) is 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1CCCCOc1ccccc1Cl.
What is the InChIKey of 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is UTRMOPMCNKAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrClN3O2/c1-18(29-26(32)19-12-14-20(27)15-13-19)25-30-22-9-3-4-10-23(22)31(25)16-6-7-17-33-24-11-5-2-8-21(24)28/h2-5,8-15,18H,6-7,16-17H2,1H3,(H,29,32).
What are the key properties of 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 526.86 g/mol, XLogP of 6.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).