3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

C21H18N4O2 — CID 7080311

IUPAC3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1
InChIInChI=1S/C21H18N4O2/c1-14-19(24-21-22-10-5-11-25(14)21)15-6-3-8-17(12-15)23-20(26)16-7-4-9-18(13-16)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyKCGVCGKGAPVDAQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds4

About 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (PubChem CID 7080311) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
PubChem CID7080311
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1
InChIInChI=1S/C21H18N4O2/c1-14-19(24-21-22-10-5-11-25(14)21)15-6-3-8-17(12-15)23-20(26)16-7-4-9-18(13-16)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyKCGVCGKGAPVDAQ-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (CID 7080311) is 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The InChIKey is KCGVCGKGAPVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-19(24-21-22-10-5-11-25(14)21)15-6-3-8-17(12-15)23-20(26)16-7-4-9-18(13-16)27-2/h3-13H,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7080311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).