1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea

C22H20N6O2 — CID 122306208

IUPAC1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)cc1
InChIInChI=1S/C22H20N6O2/c1-2-16-3-5-17(6-4-16)24-22(29)25-18-7-9-19(10-8-18)30-21-12-11-20(26-27-21)28-14-13-23-15-28/h3-15H,2H2,1H3,(H2,24,25,29)
InChIKeyKJISDZHBJNZTGP-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.66
Rot. Bonds6

About 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea

1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea (PubChem CID 122306208) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
PubChem CID122306208
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)cc1
InChIInChI=1S/C22H20N6O2/c1-2-16-3-5-17(6-4-16)24-22(29)25-18-7-9-19(10-8-18)30-21-12-11-20(26-27-21)28-14-13-23-15-28/h3-15H,2H2,1H3,(H2,24,25,29)
InChIKeyKJISDZHBJNZTGP-UHFFFAOYSA-N
XLogP4.66
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
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
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920163
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
CID 122306305
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
CID 122306263
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306357
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]prop-2-enamide
CID 122306183

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea (CID 122306208) is 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea is CCc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The InChIKey is KJISDZHBJNZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-2-16-3-5-17(6-4-16)24-22(29)25-18-7-9-19(10-8-18)30-21-12-11-20(26-27-21)28-14-13-23-15-28/h3-15H,2H2,1H3,(H2,24,25,29).
What are the key properties of 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea has a molecular weight of 400.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea is sourced from PubChem (CID 122306208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).