5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C20H19FN4O2 — CID 133452461

IUPAC5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C20H19FN4O2/c21-16-7-4-8-19(20(16)25(26)27)23-12-10-18-17(13-23)22-14-24(18)11-9-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyWJNKZMSAWNODLM-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.74
Rot. Bonds5

About 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 133452461) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID133452461
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C20H19FN4O2/c21-16-7-4-8-19(20(16)25(26)27)23-12-10-18-17(13-23)22-14-24(18)11-9-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyWJNKZMSAWNODLM-UHFFFAOYSA-N
XLogP3.74
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 133452461) is 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is O=[N+]([O-])c1c(F)cccc1N1CCc2c(ncn2CCc2ccccc2)C1.
What is the InChIKey of 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is WJNKZMSAWNODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-7-4-8-19(20(16)25(26)27)23-12-10-18-17(13-23)22-14-24(18)11-9-15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 366.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 133452461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).