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

C18H28N2 — CID 69410242

IUPAC1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCC1N(Cc2ccccc2)C=CN1C(C)C
InChIInChI=1S/C18H28N2/c1-4-5-7-12-18-19(13-14-20(18)16(2)3)15-17-10-8-6-9-11-17/h6,8-11,13-14,16,18H,4-5,7,12,15H2,1-3H3
InChIKeyWUPSMHPDDHGWSO-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.59
Rot. Bonds7

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

1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole (PubChem CID 69410242) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole
PubChem CID69410242
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCC1N(Cc2ccccc2)C=CN1C(C)C
InChIInChI=1S/C18H28N2/c1-4-5-7-12-18-19(13-14-20(18)16(2)3)15-17-10-8-6-9-11-17/h6,8-11,13-14,16,18H,4-5,7,12,15H2,1-3H3
InChIKeyWUPSMHPDDHGWSO-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-methyl-2-pentyl-2H-imidazole
CID 69397407
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-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-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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole (CID 69410242) is 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole is CCCCCC1N(Cc2ccccc2)C=CN1C(C)C.
What is the InChIKey of 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole?
The InChIKey is WUPSMHPDDHGWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-5-7-12-18-19(13-14-20(18)16(2)3)15-17-10-8-6-9-11-17/h6,8-11,13-14,16,18H,4-5,7,12,15H2,1-3H3.
What are the key properties of 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole?
1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole has a molecular weight of 272.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-pentyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69410242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).