N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine

C14H19N3 — CID 71420486

IUPACN-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine
SMILESCN1C=CN(CCC/N=C/c2ccccc2)C1
InChIInChI=1S/C14H19N3/c1-16-10-11-17(13-16)9-5-8-15-12-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3/b15-12+
InChIKeyWGDNARGRXHQARY-NTCAYCPXSA-N
MW229.33 g/mol
LogP2.17
Rot. Bonds5

About N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine

N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine (PubChem CID 71420486) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine
PubChem CID71420486
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine
SMILESCN1C=CN(CCC/N=C/c2ccccc2)C1
InChIInChI=1S/C14H19N3/c1-16-10-11-17(13-16)9-5-8-15-12-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3/b15-12+
InChIKeyWGDNARGRXHQARY-NTCAYCPXSA-N
XLogP2.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.17
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 N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine?
The IUPAC name of N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine (CID 71420486) is N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine.
What is the SMILES notation for N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine?
The canonical SMILES for N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine is CN1C=CN(CCC/N=C/c2ccccc2)C1.
What is the InChIKey of N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine?
The InChIKey is WGDNARGRXHQARY-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-10-11-17(13-16)9-5-8-15-12-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3/b15-12+.
What are the key properties of N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine?
N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine has a molecular weight of 229.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-1-phenylmethanimine is sourced from PubChem (CID 71420486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).