2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide

C17H16BrN5O — CID 122301454

IUPAC2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)c3ccccc3Br)cn2)c1C
InChIInChI=1S/C17H16BrN5O/c1-10-11(2)23(12(3)21-10)17-19-8-13(9-20-17)22-16(24)14-6-4-5-7-15(14)18/h4-9H,1-3H3,(H,22,24)
InChIKeyDFCZXYKLGHHDIX-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.60
Rot. Bonds3

About 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide

2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122301454) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122301454
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)c3ccccc3Br)cn2)c1C
InChIInChI=1S/C17H16BrN5O/c1-10-11(2)23(12(3)21-10)17-19-8-13(9-20-17)22-16(24)14-6-4-5-7-15(14)18/h4-9H,1-3H3,(H,22,24)
InChIKeyDFCZXYKLGHHDIX-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301170
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122301228
2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301191
4-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 122301424
2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
CID 122301734
3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301183
2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
CID 122301434
2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565
5-pyridin-3-yl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 122301419
(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122301225
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (CID 122301454) is 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is Cc1nc(C)n(-c2ncc(NC(=O)c3ccccc3Br)cn2)c1C.
What is the InChIKey of 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is DFCZXYKLGHHDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-10-11(2)23(12(3)21-10)17-19-8-13(9-20-17)22-16(24)14-6-4-5-7-15(14)18/h4-9H,1-3H3,(H,22,24).
What are the key properties of 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122301454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).