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

C20H22BrN3O2 — CID 16977559

IUPAC4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-2-26-14-13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyKXXSLEJDUHDRLP-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.81
Rot. Bonds8

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

4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977559) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977559
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-2-26-14-13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyKXXSLEJDUHDRLP-UHFFFAOYSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.81
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

2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976156
N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16974362
4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977496
4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
4-bromo-N-[2-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977588
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
4-bromo-N-[2-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977495
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
4-bromo-N-[2-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977526
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977471

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide (CID 16977559) is 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide is CCOCCn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KXXSLEJDUHDRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-2-26-14-13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,25).
What are the key properties of 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 416.32 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).