2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine

C19H21N3 — CID 59785202

IUPAC2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCCCCC/C(=C\c1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C19H21N3/c1-2-3-5-11-16(14-15-9-6-4-7-10-15)18-21-17-12-8-13-20-19(17)22-18/h4,6-10,12-14H,2-3,5,11H2,1H3,(H,20,21,22)/b16-14+
InChIKeyPZOQGDWVHAJWRC-JQIJEIRASA-N
MW291.40 g/mol
LogP5.08
Rot. Bonds6

About 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine

2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 59785202) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID59785202
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCCCCC/C(=C\c1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C19H21N3/c1-2-3-5-11-16(14-15-9-6-4-7-10-15)18-21-17-12-8-13-20-19(17)22-18/h4,6-10,12-14H,2-3,5,11H2,1H3,(H,20,21,22)/b16-14+
InChIKeyPZOQGDWVHAJWRC-JQIJEIRASA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile
CID 7605374
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene
CID 101104759
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
[(Z)-non-3-en-4-yl]benzene
CID 101008148
ethyl 4-[(Z)-1-phenylhept-1-en-2-yl]benzoate
CID 23658634
2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine
CID 174495647
2-(methoxymethyl)dec-1-enylbenzene
CID 173133002
3-(1-phenylicos-1-en-2-yl)furan-2,5-dione
CID 175787313
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine (CID 59785202) is 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine is CCCCC/C(=C\c1ccccc1)c1nc2ncccc2[nH]1.
What is the InChIKey of 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is PZOQGDWVHAJWRC-JQIJEIRASA-N. The full InChI is InChI=1S/C19H21N3/c1-2-3-5-11-16(14-15-9-6-4-7-10-15)18-21-17-12-8-13-20-19(17)22-18/h4,6-10,12-14H,2-3,5,11H2,1H3,(H,20,21,22)/b16-14+.
What are the key properties of 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine?
2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 291.40 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 59785202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).