5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C17H21FN4O2 — CID 86895699

IUPAC5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1C)CCN(Cc1cc(F)ccc1[N+](=O)[O-])C2
InChIInChI=1S/C17H21FN4O2/c1-11(2)17-19-14-10-21(7-6-16(14)20(17)3)9-12-8-13(18)4-5-15(12)22(23)24/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyWMDHDZGVAAVBBG-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.15
Rot. Bonds4

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

5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 86895699) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID86895699
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1C)CCN(Cc1cc(F)ccc1[N+](=O)[O-])C2
InChIInChI=1S/C17H21FN4O2/c1-11(2)17-19-14-10-21(7-6-16(14)20(17)3)9-12-8-13(18)4-5-15(12)22(23)24/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyWMDHDZGVAAVBBG-UHFFFAOYSA-N
XLogP3.15
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.15
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

7-ethoxy-2-[(5-fluoro-2-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 86868121
(3R)-1-[(5-fluoro-2-nitrophenyl)methyl]-3-methylpiperazine
CID 104975768
3-[(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 154736743
[1-[(5-fluoro-2-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909297
1-[(5-fluoro-2-nitrophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906828
methyl 1-[(5-fluoro-2-nitrophenyl)methyl]piperidine-4-carboxylate
CID 60981571
2-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648409
1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 62732140
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 43443500
1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
CID 63199917
[1-[(5-fluoro-2-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442070
5-[(5-fluoro-2-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 47293778

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 86895699) is 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)c1nc2c(n1C)CCN(Cc1cc(F)ccc1[N+](=O)[O-])C2.
What is the InChIKey of 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is WMDHDZGVAAVBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11(2)17-19-14-10-21(7-6-16(14)20(17)3)9-12-8-13(18)4-5-15(12)22(23)24/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 332.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 86895699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).