4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C19H21N5O3 — CID 118771709

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCOc1cc(OC)nc(-c2ccc(C(=O)NCCc3nccn3C)cc2)n1
InChIInChI=1S/C19H21N5O3/c1-24-11-10-20-15(24)8-9-21-19(25)14-6-4-13(5-7-14)18-22-16(26-2)12-17(23-18)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)
InChIKeyOEUNHCGQHXXARQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.87
Rot. Bonds7

About 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 118771709) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID118771709
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCOc1cc(OC)nc(-c2ccc(C(=O)NCCc3nccn3C)cc2)n1
InChIInChI=1S/C19H21N5O3/c1-24-11-10-20-15(24)8-9-21-19(25)14-6-4-13(5-7-14)18-22-16(26-2)12-17(23-18)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)
InChIKeyOEUNHCGQHXXARQ-UHFFFAOYSA-N
XLogP1.87
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 78988023
2-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 62248961
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 91834351
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
CID 55736473
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 62186633
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 66327115

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 118771709) is 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is COc1cc(OC)nc(-c2ccc(C(=O)NCCc3nccn3C)cc2)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is OEUNHCGQHXXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-24-11-10-20-15(24)8-9-21-19(25)14-6-4-13(5-7-14)18-22-16(26-2)12-17(23-18)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,25).
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 118771709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).