1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride

C20H40Cl2N4 — CID 24740524

IUPAC1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride
SMILESCN1CCN=C1CCCCCCCCCCCCC1=NCCN1C.Cl.Cl
InChIInChI=1S/C20H38N4.2ClH/c1-23-17-15-21-19(23)13-11-9-7-5-3-4-6-8-10-12-14-20-22-16-18-24(20)2;;/h3-18H2,1-2H3;2*1H
InChIKeyIHNKULGZAWGOSM-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.20
Rot. Bonds13

About 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride

1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride (PubChem CID 24740524) has the molecular formula C20H40Cl2N4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride.

Molecular Properties

Compound Name1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride
PubChem CID24740524
Molecular FormulaC20H40Cl2N4
Molecular Weight407.47 g/mol
Exact Mass406.26
IUPAC Name1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride
SMILESCN1CCN=C1CCCCCCCCCCCCC1=NCCN1C.Cl.Cl
InChIInChI=1S/C20H38N4.2ClH/c1-23-17-15-21-19(23)13-11-9-7-5-3-4-6-8-10-12-14-20-22-16-18-24(20)2;;/h3-18H2,1-2H3;2*1H
InChIKeyIHNKULGZAWGOSM-UHFFFAOYSA-N
XLogP5.20
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride?
The IUPAC name of 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride (CID 24740524) is 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride.
What is the SMILES notation for 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride?
The canonical SMILES for 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride is CN1CCN=C1CCCCCCCCCCCCC1=NCCN1C.Cl.Cl.
What is the InChIKey of 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride?
The InChIKey is IHNKULGZAWGOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4.2ClH/c1-23-17-15-21-19(23)13-11-9-7-5-3-4-6-8-10-12-14-20-22-16-18-24(20)2;;/h3-18H2,1-2H3;2*1H.
What are the key properties of 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride?
1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride has a molecular weight of 407.47 g/mol, XLogP of 5.20, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[12-(1-methyl-4,5-dihydroimidazol-2-yl)dodecyl]-4,5-dihydroimidazole;dihydrochloride is sourced from PubChem (CID 24740524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).