3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide

C24H27BrN4O2 — CID 154681712

IUPAC3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide
SMILESCCCN(Cc1cccc(C(=O)Nc2ncc(-c3ccc(Br)c(C)c3)n2C)c1)C(C)=O
InChIInChI=1S/C24H27BrN4O2/c1-5-11-29(17(3)30)15-18-7-6-8-20(13-18)23(31)27-24-26-14-22(28(24)4)19-9-10-21(25)16(2)12-19/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,27,31)
InChIKeyUPCXQCQHPDCGEE-UHFFFAOYSA-N
MW483.41 g/mol
LogP5.17
Rot. Bonds7

About 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide

3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide (PubChem CID 154681712) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide
PubChem CID154681712
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Name3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide
SMILESCCCN(Cc1cccc(C(=O)Nc2ncc(-c3ccc(Br)c(C)c3)n2C)c1)C(C)=O
InChIInChI=1S/C24H27BrN4O2/c1-5-11-29(17(3)30)15-18-7-6-8-20(13-18)23(31)27-24-26-14-22(28(24)4)19-9-10-21(25)16(2)12-19/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,27,31)
InChIKeyUPCXQCQHPDCGEE-UHFFFAOYSA-N
XLogP5.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
CID 145409289
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615
3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
CID 155067658
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-nitrobenzamide
CID 5008870
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide
CID 155067609
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 50971333
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
CID 154681643
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538

Frequently Asked Questions

What is the IUPAC name of 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide?
The IUPAC name of 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide (CID 154681712) is 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide.
What is the SMILES notation for 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide?
The canonical SMILES for 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide is CCCN(Cc1cccc(C(=O)Nc2ncc(-c3ccc(Br)c(C)c3)n2C)c1)C(C)=O.
What is the InChIKey of 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide?
The InChIKey is UPCXQCQHPDCGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-5-11-29(17(3)30)15-18-7-6-8-20(13-18)23(31)27-24-26-14-22(28(24)4)19-9-10-21(25)16(2)12-19/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,27,31).
What are the key properties of 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide?
3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide has a molecular weight of 483.41 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide is sourced from PubChem (CID 154681712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).