3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

C20H14ClN5O2 — CID 122306150

IUPAC3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H14ClN5O2/c21-15-3-1-2-14(12-15)20(27)23-16-4-6-17(7-5-16)28-19-9-8-18(24-25-19)26-11-10-22-13-26/h1-13H,(H,23,27)
InChIKeyVEQGNSTVSRLGKA-UHFFFAOYSA-N
MW391.82 g/mol
LogP4.36
Rot. Bonds5

About 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122306150) has the molecular formula C20H14ClN5O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122306150
Molecular FormulaC20H14ClN5O2
Molecular Weight391.82 g/mol
Exact Mass391.08
IUPAC Name3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H14ClN5O2/c21-15-3-1-2-14(12-15)20(27)23-16-4-6-17(7-5-16)28-19-9-8-18(24-25-19)26-11-10-22-13-26/h1-13H,(H,23,27)
InChIKeyVEQGNSTVSRLGKA-UHFFFAOYSA-N
XLogP4.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
CID 122306305
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
2-(difluoromethylsulfanyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306366
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306221
1-(2,4-dimethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306212

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122306150) is 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is O=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is VEQGNSTVSRLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2/c21-15-3-1-2-14(12-15)20(27)23-16-4-6-17(7-5-16)28-19-9-8-18(24-25-19)26-11-10-22-13-26/h1-13H,(H,23,27).
What are the key properties of 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 391.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122306150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).