8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane

C22H33N3O2 — CID 157057314

IUPAC8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane
SMILESC.CC.CC.CC(=O)c1cccc(Cc2c[nH]c(=O)n3c(C)c(C)nc23)c1
InChIInChI=1S/C17H17N3O2.2C2H6.CH4/c1-10-11(2)20-16(19-10)15(9-18-17(20)22)8-13-5-4-6-14(7-13)12(3)21;2*1-2;/h4-7,9H,8H2,1-3H3,(H,18,22);2*1-2H3;1H4
InChIKeyAAXIZFMXNNFXEQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.12
Rot. Bonds3

About 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane

8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane (PubChem CID 157057314) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane.

Molecular Properties

Compound Name8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane
PubChem CID157057314
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane
SMILESC.CC.CC.CC(=O)c1cccc(Cc2c[nH]c(=O)n3c(C)c(C)nc23)c1
InChIInChI=1S/C17H17N3O2.2C2H6.CH4/c1-10-11(2)20-16(19-10)15(9-18-17(20)22)8-13-5-4-6-14(7-13)12(3)21;2*1-2;/h4-7,9H,8H2,1-3H3,(H,18,22);2*1-2H3;1H4
InChIKeyAAXIZFMXNNFXEQ-UHFFFAOYSA-N
XLogP5.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane?
The IUPAC name of 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane (CID 157057314) is 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane.
What is the SMILES notation for 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane?
The canonical SMILES for 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane is C.CC.CC.CC(=O)c1cccc(Cc2c[nH]c(=O)n3c(C)c(C)nc23)c1.
What is the InChIKey of 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane?
The InChIKey is AAXIZFMXNNFXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.2C2H6.CH4/c1-10-11(2)20-16(19-10)15(9-18-17(20)22)8-13-5-4-6-14(7-13)12(3)21;2*1-2;/h4-7,9H,8H2,1-3H3,(H,18,22);2*1-2H3;1H4.
What are the key properties of 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane?
8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane has a molecular weight of 371.53 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-acetylphenyl)methyl]-2,3-dimethyl-6H-imidazo[1,2-c]pyrimidin-5-one;ethane;methane is sourced from PubChem (CID 157057314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).