2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

C20H13Cl2N5O2 — CID 122311868

IUPAC2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2N5O2/c21-13-1-6-16(17(22)9-13)20(28)26-14-2-4-15(5-3-14)29-19-10-18(24-11-25-19)27-8-7-23-12-27/h1-12H,(H,26,28)
InChIKeyHNXRLSMFKWOHLF-UHFFFAOYSA-N
MW426.26 g/mol
LogP5.01
Rot. Bonds5

About 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 122311868) has the molecular formula C20H13Cl2N5O2 and a molecular weight of 426.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID122311868
Molecular FormulaC20H13Cl2N5O2
Molecular Weight426.26 g/mol
Exact Mass425.04
IUPAC Name2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2N5O2/c21-13-1-6-16(17(22)9-13)20(28)26-14-2-4-15(5-3-14)29-19-10-18(24-11-25-19)27-8-7-23-12-27/h1-12H,(H,26,28)
InChIKeyHNXRLSMFKWOHLF-UHFFFAOYSA-N
XLogP5.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000
1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 122312038
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
CID 122312047
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312192

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (CID 122311868) is 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is O=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is HNXRLSMFKWOHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N5O2/c21-13-1-6-16(17(22)9-13)20(28)26-14-2-4-15(5-3-14)29-19-10-18(24-11-25-19)27-8-7-23-12-27/h1-12H,(H,26,28).
What are the key properties of 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 426.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122311868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).