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

C18H18FN5O2 — CID 122301377

IUPAC3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc1F
InChIInChI=1S/C18H18FN5O2/c1-10-11(2)24(12(3)22-10)18-20-8-14(9-21-18)23-17(25)13-5-6-16(26-4)15(19)7-13/h5-9H,1-4H3,(H,23,25)
InChIKeyGQIRMRFBIHUMBS-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.99
Rot. Bonds4

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

3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122301377) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122301377
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc1F
InChIInChI=1S/C18H18FN5O2/c1-10-11(2)24(12(3)22-10)18-20-8-14(9-21-18)23-17(25)13-5-6-16(26-4)15(19)7-13/h5-9H,1-4H3,(H,23,25)
InChIKeyGQIRMRFBIHUMBS-UHFFFAOYSA-N
XLogP2.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]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

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-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301385
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
2-(3-methoxyphenoxy)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301312
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide (CID 122301377) is 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is COc1ccc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is GQIRMRFBIHUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-10-11(2)24(12(3)22-10)18-20-8-14(9-21-18)23-17(25)13-5-6-16(26-4)15(19)7-13/h5-9H,1-4H3,(H,23,25).
What are the key properties of 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide?
3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122301377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).