1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea

C20H14ClFN6O2 — CID 122311934

IUPAC1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClFN6O2/c21-16-9-14(3-6-17(16)22)27-20(29)26-13-1-4-15(5-2-13)30-19-10-18(24-11-25-19)28-8-7-23-12-28/h1-12H,(H2,26,27,29)
InChIKeyPWZWOIDMYBUIQD-UHFFFAOYSA-N
MW424.82 g/mol
LogP4.89
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea

1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea (PubChem CID 122311934) has the molecular formula C20H14ClFN6O2 and a molecular weight of 424.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
PubChem CID122311934
Molecular FormulaC20H14ClFN6O2
Molecular Weight424.82 g/mol
Exact Mass424.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClFN6O2/c21-16-9-14(3-6-17(16)22)27-20(29)26-13-1-4-15(5-2-13)30-19-10-18(24-11-25-19)28-8-7-23-12-28/h1-12H,(H2,26,27,29)
InChIKeyPWZWOIDMYBUIQD-UHFFFAOYSA-N
XLogP4.89
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.82
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
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
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312192
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112
1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 122312038
1-(3-chlorophenyl)-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308884
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropane-1-carboxamide
CID 122312105
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea (CID 122311934) is 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea is O=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
The InChIKey is PWZWOIDMYBUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN6O2/c21-16-9-14(3-6-17(16)22)27-20(29)26-13-1-4-15(5-2-13)30-19-10-18(24-11-25-19)28-8-7-23-12-28/h1-12H,(H2,26,27,29).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea has a molecular weight of 424.82 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 122311934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).