3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide

C23H21N5O2 — CID 122312229

IUPAC3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc(-n4ccnc4C)ncn3)cc2)cc1C
InChIInChI=1S/C23H21N5O2/c1-15-4-5-18(12-16(15)2)23(29)27-19-6-8-20(9-7-19)30-22-13-21(25-14-26-22)28-11-10-24-17(28)3/h4-14H,1-3H3,(H,27,29)
InChIKeyBMSPZPVSCZPXEV-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.63
Rot. Bonds5

About 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide

3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (PubChem CID 122312229) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
PubChem CID122312229
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc(-n4ccnc4C)ncn3)cc2)cc1C
InChIInChI=1S/C23H21N5O2/c1-15-4-5-18(12-16(15)2)23(29)27-19-6-8-20(9-7-19)30-22-13-21(25-14-26-22)28-11-10-24-17(28)3/h4-14H,1-3H3,(H,27,29)
InChIKeyBMSPZPVSCZPXEV-UHFFFAOYSA-N
XLogP4.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312439
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,3-benzothiazole-6-carboxamide
CID 122312391
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pentoxybenzamide
CID 122312480
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
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
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312325
1-(2,3-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312308
2-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122312432
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyltriazole-4-carboxamide
CID 122312385
4-acetyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312502

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (CID 122312229) is 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(Oc3cc(-n4ccnc4C)ncn3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The InChIKey is BMSPZPVSCZPXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-4-5-18(12-16(15)2)23(29)27-19-6-8-20(9-7-19)30-22-13-21(25-14-26-22)28-11-10-24-17(28)3/h4-14H,1-3H3,(H,27,29).
What are the key properties of 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122312229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).