1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide

C19H31IN2 — CID 174891978

IUPAC1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide
SMILESCCCCN1C(C)=C(C)N(CCCC)C1c1ccccc1.I
InChIInChI=1S/C19H30N2.HI/c1-5-7-14-20-16(3)17(4)21(15-8-6-2)19(20)18-12-10-9-11-13-18;/h9-13,19H,5-8,14-15H2,1-4H3;1H
InChIKeyIZEYRFYHGCBTHY-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.77
Rot. Bonds7

About 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide

1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide (PubChem CID 174891978) has the molecular formula C19H31IN2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide.

Molecular Properties

Compound Name1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide
PubChem CID174891978
Molecular FormulaC19H31IN2
Molecular Weight414.38 g/mol
Exact Mass414.15
IUPAC Name1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide
SMILESCCCCN1C(C)=C(C)N(CCCC)C1c1ccccc1.I
InChIInChI=1S/C19H30N2.HI/c1-5-7-14-20-16(3)17(4)21(15-8-6-2)19(20)18-12-10-9-11-13-18;/h9-13,19H,5-8,14-15H2,1-4H3;1H
InChIKeyIZEYRFYHGCBTHY-UHFFFAOYSA-N
XLogP5.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69390224
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
3-butyl-2-phenyl-2H-1,3-benzothiazole
CID 162687849
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234
1-nonadecyl-2-phenyl-3-undecyl-2H-imidazole
CID 69392101
1-nonadecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69388313
(5S)-4-butyl-5-phenyl-1,2,4-triazolidin-3-one
CID 97301803
1-butyl-2,3-diphenyl-2H-imidazole
CID 69391122
1-nonadecyl-2-phenyl-3-propyl-2H-imidazole
CID 69392531

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide?
The IUPAC name of 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide (CID 174891978) is 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide.
What is the SMILES notation for 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide?
The canonical SMILES for 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide is CCCCN1C(C)=C(C)N(CCCC)C1c1ccccc1.I.
What is the InChIKey of 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide?
The InChIKey is IZEYRFYHGCBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2.HI/c1-5-7-14-20-16(3)17(4)21(15-8-6-2)19(20)18-12-10-9-11-13-18;/h9-13,19H,5-8,14-15H2,1-4H3;1H.
What are the key properties of 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide?
1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide has a molecular weight of 414.38 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide is sourced from PubChem (CID 174891978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).