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

C20H22BrN3O2 — CID 17009430

IUPAC4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-3-26-13-12-24-18-7-5-4-6-17(18)23-19(24)14(2)22-20(25)15-8-10-16(21)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyNOVZOMQUCYACDX-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.33
Rot. Bonds7

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

4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009430) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009430
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-3-26-13-12-24-18-7-5-4-6-17(18)23-19(24)14(2)22-20(25)15-8-10-16(21)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyNOVZOMQUCYACDX-UHFFFAOYSA-N
XLogP4.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009369
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
4-bromo-N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009403
4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009417
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009305
4-bromo-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009407
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
4-bromo-N-[1-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009411
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide (CID 17009430) is 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide is CCOCCn1c(C(C)NC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is NOVZOMQUCYACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-3-26-13-12-24-18-7-5-4-6-17(18)23-19(24)14(2)22-20(25)15-8-10-16(21)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,25).
What are the key properties of 4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 416.32 g/mol, XLogP of 4.33, 7 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-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).