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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Related Compounds

5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452609
4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile
CID 133452443
4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile
CID 133452532
6-bromo-4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinazoline
CID 133452451
[2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinolin-3-yl]methanol
CID 133452605
6-fluoro-2-(3-fluoro-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 133422385
5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75451706
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline
CID 75447789
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 110016711

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).