4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide

C21H16FN5O — CID 135972423

IUPAC4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H16FN5O/c22-17-7-5-13(6-8-17)18-19(14-9-11-24-12-10-14)26-21(25-18)16-3-1-15(2-4-16)20(23)27-28/h1-12,28H,(H2,23,27)(H,25,26)
InChIKeyZFVNRRWIZWCNRG-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.04
Rot. Bonds4

About 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide

4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 135972423) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID135972423
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H16FN5O/c22-17-7-5-13(6-8-17)18-19(14-9-11-24-12-10-14)26-21(25-18)16-3-1-15(2-4-16)20(23)27-28/h1-12,28H,(H2,23,27)(H,25,26)
InChIKeyZFVNRRWIZWCNRG-UHFFFAOYSA-N
XLogP4.04
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide (CID 135972423) is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZFVNRRWIZWCNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-17-7-5-13(6-8-17)18-19(14-9-11-24-12-10-14)26-21(25-18)16-3-1-15(2-4-16)20(23)27-28/h1-12,28H,(H2,23,27)(H,25,26).
What are the key properties of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide?
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 373.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 135972423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).