4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide

C23H22N6O2 — CID 122312439

IUPAC4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)ncn1
InChIInChI=1S/C23H22N6O2/c1-16-24-12-13-29(16)21-14-22(26-15-25-21)31-20-10-6-18(7-11-20)27-23(30)17-4-8-19(9-5-17)28(2)3/h4-15H,1-3H3,(H,27,30)
InChIKeyYNJMDDMQTNMMFJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.08
Rot. Bonds6

About 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide

4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (PubChem CID 122312439) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
PubChem CID122312439
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)ncn1
InChIInChI=1S/C23H22N6O2/c1-16-24-12-13-29(16)21-14-22(26-15-25-21)31-20-10-6-18(7-11-20)27-23(30)17-4-8-19(9-5-17)28(2)3/h4-15H,1-3H3,(H,27,30)
InChIKeyYNJMDDMQTNMMFJ-UHFFFAOYSA-N
XLogP4.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312229
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pentoxybenzamide
CID 122312480
4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309038
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,3-benzothiazole-6-carboxamide
CID 122312391
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
2-iodo-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312575
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
CID 122312491
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyltriazole-4-carboxamide
CID 122312385
2-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122312432
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (CID 122312439) is 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is Cc1nccn1-c1cc(Oc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)ncn1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The InChIKey is YNJMDDMQTNMMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-24-12-13-29(16)21-14-22(26-15-25-21)31-20-10-6-18(7-11-20)27-23(30)17-4-8-19(9-5-17)28(2)3/h4-15H,1-3H3,(H,27,30).
What are the key properties of 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122312439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).