4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide

C16H15N5O — CID 3234989

IUPAC4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nccc(-n3ccnc3)n2)cc1
InChIInChI=1S/C16H15N5O/c1-20(2)16(22)13-5-3-12(4-6-13)15-18-8-7-14(19-15)21-10-9-17-11-21/h3-11H,1-2H3
InChIKeyUPMJUAFKKTVDIK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.03
Rot. Bonds3

About 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide

4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide (PubChem CID 3234989) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide
PubChem CID3234989
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nccc(-n3ccnc3)n2)cc1
InChIInChI=1S/C16H15N5O/c1-20(2)16(22)13-5-3-12(4-6-13)15-18-8-7-14(19-15)21-10-9-17-11-21/h3-11H,1-2H3
InChIKeyUPMJUAFKKTVDIK-UHFFFAOYSA-N
XLogP2.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide (CID 3234989) is 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nccc(-n3ccnc3)n2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide?
The InChIKey is UPMJUAFKKTVDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-20(2)16(22)13-5-3-12(4-6-13)15-18-8-7-14(19-15)21-10-9-17-11-21/h3-11H,1-2H3.
What are the key properties of 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide?
4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 3234989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).