5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride

C20H40Cl2N4 — CID 24740526

IUPAC5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCC1CN=C(CCCCCCCCCCCCC2=NCC(C)N2)N1.Cl.Cl
InChIInChI=1S/C20H38N4.2ClH/c1-17-15-21-19(23-17)13-11-9-7-5-3-4-6-8-10-12-14-20-22-16-18(2)24-20;;/h17-18H,3-16H2,1-2H3,(H,21,23)(H,22,24);2*1H
InChIKeyPBGKFYQWKMKNQL-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.29
Rot. Bonds13

About 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride

5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 24740526) has the molecular formula C20H40Cl2N4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID24740526
Molecular FormulaC20H40Cl2N4
Molecular Weight407.47 g/mol
Exact Mass406.26
IUPAC Name5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCC1CN=C(CCCCCCCCCCCCC2=NCC(C)N2)N1.Cl.Cl
InChIInChI=1S/C20H38N4.2ClH/c1-17-15-21-19(23-17)13-11-9-7-5-3-4-6-8-10-12-14-20-22-16-18(2)24-20;;/h17-18H,3-16H2,1-2H3,(H,21,23)(H,22,24);2*1H
InChIKeyPBGKFYQWKMKNQL-UHFFFAOYSA-N
XLogP5.29
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;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 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 24740526) is 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride is CC1CN=C(CCCCCCCCCCCCC2=NCC(C)N2)N1.Cl.Cl.
What is the InChIKey of 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is PBGKFYQWKMKNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4.2ClH/c1-17-15-21-19(23-17)13-11-9-7-5-3-4-6-8-10-12-14-20-22-16-18(2)24-20;;/h17-18H,3-16H2,1-2H3,(H,21,23)(H,22,24);2*1H.
What are the key properties of 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 407.47 g/mol, XLogP of 5.29, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[12-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 24740526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).