1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea

C23H20FN5O2 — CID 18771543

IUPAC1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea
SMILESCC(c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)N(O)C(N)=O
InChIInChI=1S/C23H20FN5O2/c1-14(29(31)23(25)30)15-2-4-18(5-3-15)22-27-20(16-6-8-19(24)9-7-16)21(28-22)17-10-12-26-13-11-17/h2-14,31H,1H3,(H2,25,30)(H,27,28)
InChIKeyJVMAHSCWJIZBJE-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.78
Rot. Bonds5

About 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea

1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea (PubChem CID 18771543) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea
PubChem CID18771543
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea
SMILESCC(c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)N(O)C(N)=O
InChIInChI=1S/C23H20FN5O2/c1-14(29(31)23(25)30)15-2-4-18(5-3-15)22-27-20(16-6-8-19(24)9-7-16)21(28-22)17-10-12-26-13-11-17/h2-14,31H,1H3,(H2,25,30)(H,27,28)
InChIKeyJVMAHSCWJIZBJE-UHFFFAOYSA-N
XLogP4.78
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea (CID 18771543) is 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea is CC(c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)N(O)C(N)=O.
What is the InChIKey of 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea?
The InChIKey is JVMAHSCWJIZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14(29(31)23(25)30)15-2-4-18(5-3-15)22-27-20(16-6-8-19(24)9-7-16)21(28-22)17-10-12-26-13-11-17/h2-14,31H,1H3,(H2,25,30)(H,27,28).
What are the key properties of 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea?
1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea has a molecular weight of 417.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]ethyl]-1-hydroxyurea is sourced from PubChem (CID 18771543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).