N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine

C13H15N3 — CID 145470759

IUPACN-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine
SMILESC=Nc1c(CC)nc(-c2ccccc2)n1C
InChIInChI=1S/C13H15N3/c1-4-11-13(14-2)16(3)12(15-11)10-8-6-5-7-9-10/h5-9H,2,4H2,1,3H3
InChIKeyVIFWOHBMBRNDLG-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.98
Rot. Bonds3

About N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine

N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine (PubChem CID 145470759) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine
PubChem CID145470759
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine
SMILESC=Nc1c(CC)nc(-c2ccccc2)n1C
InChIInChI=1S/C13H15N3/c1-4-11-13(14-2)16(3)12(15-11)10-8-6-5-7-9-10/h5-9H,2,4H2,1,3H3
InChIKeyVIFWOHBMBRNDLG-UHFFFAOYSA-N
XLogP2.98
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine
CID 145470770
4-ethyl-1-methyl-2-phenyl-5-[(Z)-prop-1-enyl]imidazole
CID 146359463
4-[2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethyl]-1,5-dimethyl-2-phenylimidazole
CID 123608217
3-methyl-2-phenyl-5-(2-phenylethyl)imidazol-4-ol
CID 174582324
3-methyl-2-phenyl-5-(2-phenylethyl)imidazol-4-amine
CID 62879904
2-ethyl-6-methyl-3,4,5-triphenylpyridine
CID 67766803
3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal
CID 57110840
1-(4-ethylphenyl)-2,4-diphenylimidazole
CID 173201564
4-ethyl-6-methyl-5-phenylpyrimidin-2-amine
CID 58387688
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
5-chloro-1-methyl-2-phenylimidazol-4-amine
CID 23064487
4-ethyl-5-methyl-2-phenylpyrimidine
CID 150383613

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine?
The IUPAC name of N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine (CID 145470759) is N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine.
What is the SMILES notation for N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine?
The canonical SMILES for N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine is C=Nc1c(CC)nc(-c2ccccc2)n1C.
What is the InChIKey of N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine?
The InChIKey is VIFWOHBMBRNDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-4-11-13(14-2)16(3)12(15-11)10-8-6-5-7-9-10/h5-9H,2,4H2,1,3H3.
What are the key properties of N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine?
N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine has a molecular weight of 213.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine is sourced from PubChem (CID 145470759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).