1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole

C24H40N2 — CID 69394417

IUPAC1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C(C)C)C1c1ccccc1
InChIInChI=1S/C24H40N2/c1-4-5-6-7-8-9-10-11-12-16-19-25-20-21-26(22(2)3)24(25)23-17-14-13-15-18-23/h13-15,17-18,20-22,24H,4-12,16,19H2,1-3H3
InChIKeyXGYGJXSIARIIGP-UHFFFAOYSA-N
MW356.60 g/mol
LogP7.10
Rot. Bonds13

About 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole

1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole (PubChem CID 69394417) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole
PubChem CID69394417
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C(C)C)C1c1ccccc1
InChIInChI=1S/C24H40N2/c1-4-5-6-7-8-9-10-11-12-16-19-25-20-21-26(22(2)3)24(25)23-17-14-13-15-18-23/h13-15,17-18,20-22,24H,4-12,16,19H2,1-3H3
InChIKeyXGYGJXSIARIIGP-UHFFFAOYSA-N
XLogP7.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
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
1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69390224
1-nonadecyl-2-phenyl-3-propyl-2H-imidazole
CID 69392531
1-decyl-2-phenyl-3-propyl-2H-imidazole
CID 69389510
1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole
CID 69396098
2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole
CID 69391251
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole (CID 69394417) is 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole is CCCCCCCCCCCCN1C=CN(C(C)C)C1c1ccccc1.
What is the InChIKey of 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole?
The InChIKey is XGYGJXSIARIIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-4-5-6-7-8-9-10-11-12-16-19-25-20-21-26(22(2)3)24(25)23-17-14-13-15-18-23/h13-15,17-18,20-22,24H,4-12,16,19H2,1-3H3.
What are the key properties of 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole?
1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole has a molecular weight of 356.60 g/mol, XLogP of 7.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69394417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).