2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole

C19H30N2 — CID 69391251

IUPAC2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCN1C=CN(C(C)C)C1Cc1ccccc1
InChIInChI=1S/C19H30N2/c1-4-5-6-10-13-20-14-15-21(17(2)3)19(20)16-18-11-8-7-9-12-18/h7-9,11-12,14-15,17,19H,4-6,10,13,16H2,1-3H3
InChIKeyDYLALMFBQXIEBU-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.63
Rot. Bonds8

About 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole

2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole (PubChem CID 69391251) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole
PubChem CID69391251
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCCN1C=CN(C(C)C)C1Cc1ccccc1
InChIInChI=1S/C19H30N2/c1-4-5-6-10-13-20-14-15-21(17(2)3)19(20)16-18-11-8-7-9-12-18/h7-9,11-12,14-15,17,19H,4-6,10,13,16H2,1-3H3
InChIKeyDYLALMFBQXIEBU-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.63
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

2-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
2-benzyl-1-nonyl-3-propyl-2H-imidazole
CID 69393422
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
1,2-dibenzyl-3-pentyl-2H-imidazole
CID 69393781
2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
CID 69389731
2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
CID 69397913
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424
1-pentyl-3-propan-2-yl-2-undecyl-2H-imidazole
CID 69392378
2-hexadecyl-1-propan-2-yl-3-tetradecyl-2H-imidazole
CID 69397619
2-octadecyl-1-pentadecyl-3-propan-2-yl-2H-imidazole
CID 69407692

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole (CID 69391251) is 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole is CCCCCCN1C=CN(C(C)C)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole?
The InChIKey is DYLALMFBQXIEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-5-6-10-13-20-14-15-21(17(2)3)19(20)16-18-11-8-7-9-12-18/h7-9,11-12,14-15,17,19H,4-6,10,13,16H2,1-3H3.
What are the key properties of 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole?
2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole has a molecular weight of 286.46 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69391251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).