1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine

C17H23N3 — CID 132563452

IUPAC1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCCCCCn1ccnc1/C=N/[C@@H](C)c1ccccc1
InChIInChI=1S/C17H23N3/c1-3-4-8-12-20-13-11-18-17(20)14-19-15(2)16-9-6-5-7-10-16/h5-7,9-11,13-15H,3-4,8,12H2,1-2H3/b19-14+/t15-/m0/s1
InChIKeyRSIJNXCZGMDYMT-FHHIAAGZSA-N
MW269.39 g/mol
LogP4.25
Rot. Bonds7

About 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine

1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 132563452) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine
PubChem CID132563452
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCCCCCn1ccnc1/C=N/[C@@H](C)c1ccccc1
InChIInChI=1S/C17H23N3/c1-3-4-8-12-20-13-11-18-17(20)14-19-15(2)16-9-6-5-7-10-16/h5-7,9-11,13-15H,3-4,8,12H2,1-2H3/b19-14+/t15-/m0/s1
InChIKeyRSIJNXCZGMDYMT-FHHIAAGZSA-N
XLogP4.25
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine (CID 132563452) is 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine is CCCCCn1ccnc1/C=N/[C@@H](C)c1ccccc1.
What is the InChIKey of 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is RSIJNXCZGMDYMT-FHHIAAGZSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-4-8-12-20-13-11-18-17(20)14-19-15(2)16-9-6-5-7-10-16/h5-7,9-11,13-15H,3-4,8,12H2,1-2H3/b19-14+/t15-/m0/s1.
What are the key properties of 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine?
1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 269.39 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylimidazol-2-yl)-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 132563452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).