3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide

C20H23N5O4 — CID 122301183

IUPAC3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O4/c1-11-12(2)25(13(3)23-11)20-21-9-15(10-22-20)24-19(26)14-7-16(27-4)18(29-6)17(8-14)28-5/h7-10H,1-6H3,(H,24,26)
InChIKeyQAFMYALDHYNQLR-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.87
Rot. Bonds6

About 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide

3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122301183) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122301183
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O4/c1-11-12(2)25(13(3)23-11)20-21-9-15(10-22-20)24-19(26)14-7-16(27-4)18(29-6)17(8-14)28-5/h7-10H,1-6H3,(H,24,26)
InChIKeyQAFMYALDHYNQLR-UHFFFAOYSA-N
XLogP2.87
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301377
2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
CID 122301434
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301385
2-(3-methoxyphenoxy)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301312
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
5-pyridin-3-yl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 122301419
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879
3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
CID 51045015

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (CID 122301183) is 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is COc1cc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is QAFMYALDHYNQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-11-12(2)25(13(3)23-11)20-21-9-15(10-22-20)24-19(26)14-7-16(27-4)18(29-6)17(8-14)28-5/h7-10H,1-6H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 397.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122301183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).