2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide

C23H20ClN5O2 — CID 122313780

IUPAC2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCc1ncn(-c2cc(Oc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)ncn2)c1C
InChIInChI=1S/C23H20ClN5O2/c1-15-16(2)29(14-27-15)21-12-23(26-13-25-21)31-20-9-7-19(8-10-20)28-22(30)11-17-3-5-18(24)6-4-17/h3-10,12-14H,11H2,1-2H3,(H,28,30)
InChIKeyJYPBEIHCSRCIHA-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide

2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 122313780) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
PubChem CID122313780
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCc1ncn(-c2cc(Oc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)ncn2)c1C
InChIInChI=1S/C23H20ClN5O2/c1-15-16(2)29(14-27-15)21-12-23(26-13-25-21)31-20-9-7-19(8-10-20)28-22(30)11-17-3-5-18(24)6-4-17/h3-10,12-14H,11H2,1-2H3,(H,28,30)
InChIKeyJYPBEIHCSRCIHA-UHFFFAOYSA-N
XLogP4.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311512
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide
CID 122313922
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122313875
4-cyano-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122313953
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-propylthiadiazole-5-carboxamide
CID 122313894
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 122313542
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122314022
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-ethoxynaphthalene-1-carboxamide
CID 122313915
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122311682
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
(E)-3-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 122313624
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122307152

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (CID 122313780) is 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is Cc1ncn(-c2cc(Oc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)ncn2)c1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
The InChIKey is JYPBEIHCSRCIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-15-16(2)29(14-27-15)21-12-23(26-13-25-21)31-20-9-7-19(8-10-20)28-22(30)11-17-3-5-18(24)6-4-17/h3-10,12-14H,11H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122313780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).