2-benzyl-1-butyl-3-methyl-2H-imidazole

C15H22N2 — CID 69392411

IUPAC2-benzyl-1-butyl-3-methyl-2H-imidazole
SMILESCCCCN1C=CN(C)C1Cc1ccccc1
InChIInChI=1S/C15H22N2/c1-3-4-10-17-12-11-16(2)15(17)13-14-8-6-5-7-9-14/h5-9,11-12,15H,3-4,10,13H2,1-2H3
InChIKeyAKPUWSUXAVIBPD-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.07
Rot. Bonds5

About 2-benzyl-1-butyl-3-methyl-2H-imidazole

2-benzyl-1-butyl-3-methyl-2H-imidazole (PubChem CID 69392411) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-benzyl-1-butyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name2-benzyl-1-butyl-3-methyl-2H-imidazole
PubChem CID69392411
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-benzyl-1-butyl-3-methyl-2H-imidazole
SMILESCCCCN1C=CN(C)C1Cc1ccccc1
InChIInChI=1S/C15H22N2/c1-3-4-10-17-12-11-16(2)15(17)13-14-8-6-5-7-9-14/h5-9,11-12,15H,3-4,10,13H2,1-2H3
InChIKeyAKPUWSUXAVIBPD-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-butyl-3-ethyl-2H-imidazole
CID 69392912
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-pentyl-2H-imidazole
CID 69393781
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
CID 69397913
2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
CID 69389731
2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole
CID 69391251
1-benzyl-3-methyl-2-pentyl-2H-imidazole
CID 69397407
1-benzyl-3-butyl-2-undecyl-2H-imidazole
CID 69388248

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-butyl-3-methyl-2H-imidazole?
The IUPAC name of 2-benzyl-1-butyl-3-methyl-2H-imidazole (CID 69392411) is 2-benzyl-1-butyl-3-methyl-2H-imidazole.
What is the SMILES notation for 2-benzyl-1-butyl-3-methyl-2H-imidazole?
The canonical SMILES for 2-benzyl-1-butyl-3-methyl-2H-imidazole is CCCCN1C=CN(C)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-butyl-3-methyl-2H-imidazole?
The InChIKey is AKPUWSUXAVIBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-4-10-17-12-11-16(2)15(17)13-14-8-6-5-7-9-14/h5-9,11-12,15H,3-4,10,13H2,1-2H3.
What are the key properties of 2-benzyl-1-butyl-3-methyl-2H-imidazole?
2-benzyl-1-butyl-3-methyl-2H-imidazole has a molecular weight of 230.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-butyl-3-methyl-2H-imidazole is sourced from PubChem (CID 69392411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).