1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole

C31H59BrN4 — CID 123172348

IUPAC1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(CCCCC(Br)N2C=CN(CCCCCCCCCC)C2)C1
InChIInChI=1S/C31H59BrN4/c1-3-5-7-9-11-13-15-18-22-33-25-26-34(29-33)24-20-17-21-31(32)36-28-27-35(30-36)23-19-16-14-12-10-8-6-4-2/h25-28,31H,3-24,29-30H2,1-2H3
InChIKeyZOYJYHWKGQTPGS-UHFFFAOYSA-N
MW567.75 g/mol
LogP9.25
Rot. Bonds24

About 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole

1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole (PubChem CID 123172348) has the molecular formula C31H59BrN4 and a molecular weight of 567.75 g/mol. Its IUPAC name is 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole.

Molecular Properties

Compound Name1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole
PubChem CID123172348
Molecular FormulaC31H59BrN4
Molecular Weight567.75 g/mol
Exact Mass566.39
IUPAC Name1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(CCCCC(Br)N2C=CN(CCCCCCCCCC)C2)C1
InChIInChI=1S/C31H59BrN4/c1-3-5-7-9-11-13-15-18-22-33-25-26-34(29-33)24-20-17-21-31(32)36-28-27-35(30-36)23-19-16-14-12-10-8-6-4-2/h25-28,31H,3-24,29-30H2,1-2H3
InChIKeyZOYJYHWKGQTPGS-UHFFFAOYSA-N
XLogP9.25
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.75
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-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-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-nonadecyl-3-propan-2-yl-2H-imidazole
CID 69389756
1-(6-bromohexyl)-3-tetradecyl-2H-imidazole
CID 141476954
1-decyl-3-ethyl-2H-imidazole
CID 19864130

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole?
The IUPAC name of 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole (CID 123172348) is 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole.
What is the SMILES notation for 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole?
The canonical SMILES for 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole is CCCCCCCCCCN1C=CN(CCCCC(Br)N2C=CN(CCCCCCCCCC)C2)C1.
What is the InChIKey of 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole?
The InChIKey is ZOYJYHWKGQTPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59BrN4/c1-3-5-7-9-11-13-15-18-22-33-25-26-34(29-33)24-20-17-21-31(32)36-28-27-35(30-36)23-19-16-14-12-10-8-6-4-2/h25-28,31H,3-24,29-30H2,1-2H3.
What are the key properties of 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole?
1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole has a molecular weight of 567.75 g/mol, XLogP of 9.25, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-5-(3-decyl-2H-imidazol-1-yl)pentyl]-3-decyl-2H-imidazole is sourced from PubChem (CID 123172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).