4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide

C20H20BrN3O2 — CID 16977590

IUPAC4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(=O)C(C)n1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C20H20BrN3O2/c1-13(14(2)25)24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(26)15-7-9-16(21)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyRWBXQCAEVAHNHD-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.92
Rot. Bonds6

About 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide

4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977590) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977590
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(=O)C(C)n1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C20H20BrN3O2/c1-13(14(2)25)24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(26)15-7-9-16(21)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyRWBXQCAEVAHNHD-UHFFFAOYSA-N
XLogP3.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-[1-(3-oxobutan-2-yl)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-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
CID 17009138
4-bromo-N-[1-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
CID 17009461
4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977471
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977457
4-bromo-N-[2-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977526
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
4-bromo-N-[5-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991539
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide (CID 16977590) is 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide is CC(=O)C(C)n1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is RWBXQCAEVAHNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-13(14(2)25)24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(26)15-7-9-16(21)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,22,26).
What are the key properties of 4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 414.30 g/mol, XLogP of 3.92, 6 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-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).