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

C21H21FN4O3 — CID 133452609

IUPAC5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C21H21FN4O3/c1-29-21-12-19(16(22)11-20(21)26(27)28)24-10-8-18-17(13-24)23-14-25(18)9-7-15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyCROOCAYDAWTWLW-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.74
Rot. Bonds6

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

5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 133452609) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID133452609
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C21H21FN4O3/c1-29-21-12-19(16(22)11-20(21)26(27)28)24-10-8-18-17(13-24)23-14-25(18)9-7-15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyCROOCAYDAWTWLW-UHFFFAOYSA-N
XLogP3.74
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452461
4-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133474527
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
[2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinolin-3-yl]methanol
CID 133452605
3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole
CID 107260689
2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 75398229
1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
CID 107260510
1-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260518
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
2-[1-(2-fluoro-5-methoxy-4-nitrophenyl)imidazol-2-yl]ethanamine
CID 107260674
3-(2-fluoro-5-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane
CID 118639741

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 133452609) is 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is CROOCAYDAWTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-29-21-12-19(16(22)11-20(21)26(27)28)24-10-8-18-17(13-24)23-14-25(18)9-7-15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3.
What are the key properties of 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 396.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 133452609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).