N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C20H22BrN3O2 — CID 60566374

IUPACN-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-14(7-8-15-9-11-16(21)12-10-15)22-19(25)13-24-18-6-4-3-5-17(18)23(2)20(24)26/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,22,25)
InChIKeyZDLVQADXQFFUIA-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.24
Rot. Bonds6

About N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 60566374) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID60566374
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-14(7-8-15-9-11-16(21)12-10-15)22-19(25)13-24-18-6-4-3-5-17(18)23(2)20(24)26/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,22,25)
InChIKeyZDLVQADXQFFUIA-UHFFFAOYSA-N
XLogP3.24
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86828631
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24603739
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide
CID 160909919
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55506945
5-[2,4-dioxo-1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]quinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763343
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 60708838

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 60566374) is N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is CC(CCc1ccc(Br)cc1)NC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is ZDLVQADXQFFUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-14(7-8-15-9-11-16(21)12-10-15)22-19(25)13-24-18-6-4-3-5-17(18)23(2)20(24)26/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 416.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 60566374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).