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

C16H24N2 — CID 69397407

IUPAC1-benzyl-3-methyl-2-pentyl-2H-imidazole
SMILESCCCCCC1N(C)C=CN1Cc1ccccc1
InChIInChI=1S/C16H24N2/c1-3-4-6-11-16-17(2)12-13-18(16)14-15-9-7-5-8-10-15/h5,7-10,12-13,16H,3-4,6,11,14H2,1-2H3
InChIKeyBSXVPNVOWIGLES-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.81
Rot. Bonds6

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

1-benzyl-3-methyl-2-pentyl-2H-imidazole (PubChem CID 69397407) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-benzyl-3-methyl-2-pentyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-3-methyl-2-pentyl-2H-imidazole
PubChem CID69397407
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-benzyl-3-methyl-2-pentyl-2H-imidazole
SMILESCCCCCC1N(C)C=CN1Cc1ccccc1
InChIInChI=1S/C16H24N2/c1-3-4-6-11-16-17(2)12-13-18(16)14-15-9-7-5-8-10-15/h5,7-10,12-13,16H,3-4,6,11,14H2,1-2H3
InChIKeyBSXVPNVOWIGLES-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.81
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-benzyl-2-pentadecyl-3-tridecyl-2H-imidazole
CID 69392312
1-benzyl-3-heptadecyl-2-octadecyl-2H-imidazole
CID 69396806
1-benzyl-2-hexyl-3-undecyl-2H-imidazole
CID 69393287
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008
1-benzyl-3-decyl-2-pentyl-2H-imidazole
CID 69395313
1-benzyl-3-butyl-2-undecyl-2H-imidazole
CID 69388248
1-benzyl-3-butyl-2-hexadecyl-2H-imidazole
CID 69389431
1-benzyl-3-hexyl-2-undecyl-2H-imidazole
CID 69393351
1-benzyl-3-hexadecyl-2-tridecyl-2H-imidazole
CID 69388432
1-benzyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389183
1-benzyl-2-butyl-3-nonadecyl-2H-imidazole
CID 69397279
1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole
CID 69410242

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-2-pentyl-2H-imidazole?
The IUPAC name of 1-benzyl-3-methyl-2-pentyl-2H-imidazole (CID 69397407) is 1-benzyl-3-methyl-2-pentyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-3-methyl-2-pentyl-2H-imidazole?
The canonical SMILES for 1-benzyl-3-methyl-2-pentyl-2H-imidazole is CCCCCC1N(C)C=CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-methyl-2-pentyl-2H-imidazole?
The InChIKey is BSXVPNVOWIGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-6-11-16-17(2)12-13-18(16)14-15-9-7-5-8-10-15/h5,7-10,12-13,16H,3-4,6,11,14H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-2-pentyl-2H-imidazole?
1-benzyl-3-methyl-2-pentyl-2H-imidazole has a molecular weight of 244.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-2-pentyl-2H-imidazole is sourced from PubChem (CID 69397407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).