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

C26H26BrN3O2 — CID 17009369

IUPAC4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCc1ccc(OCCn2c(C(C)NC(=O)c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26BrN3O2/c1-3-19-8-14-22(15-9-19)32-17-16-30-24-7-5-4-6-23(24)29-25(30)18(2)28-26(31)20-10-12-21(27)13-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyDBKRJEQPJAMIDG-UHFFFAOYSA-N
MW492.42 g/mol
LogP5.93
Rot. Bonds8

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

4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009369) has the molecular formula C26H26BrN3O2 and a molecular weight of 492.42 g/mol. Its IUPAC name is 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009369
Molecular FormulaC26H26BrN3O2
Molecular Weight492.42 g/mol
Exact Mass491.12
IUPAC Name4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCc1ccc(OCCn2c(C(C)NC(=O)c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26BrN3O2/c1-3-19-8-14-22(15-9-19)32-17-16-30-24-7-5-4-6-23(24)29-25(30)18(2)28-26(31)20-10-12-21(27)13-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyDBKRJEQPJAMIDG-UHFFFAOYSA-N
XLogP5.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.42
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009738
4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009430
4-bromo-N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009403
N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971773
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967125
3-chloro-N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010504
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009369) is 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is CCc1ccc(OCCn2c(C(C)NC(=O)c3ccc(Br)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is DBKRJEQPJAMIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O2/c1-3-19-8-14-22(15-9-19)32-17-16-30-24-7-5-4-6-23(24)29-25(30)18(2)28-26(31)20-10-12-21(27)13-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,28,31).
What are the key properties of 4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 492.42 g/mol, XLogP of 5.93, 8 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-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).