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

C18H34N4 — CID 10402914

IUPAC2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole
SMILESC(CCCCCCC1=NCCN1)CCCCCC1=NCCN1
InChIInChI=1S/C18H34N4/c1(3-5-7-9-11-17-19-13-14-20-17)2-4-6-8-10-12-18-21-15-16-22-18/h1-16H2,(H,19,20)(H,21,22)
InChIKeyBSYISUDRRMXOQK-UHFFFAOYSA-N
MW306.50 g/mol
LogP3.67
Rot. Bonds13

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

2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole (PubChem CID 10402914) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole
PubChem CID10402914
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole
SMILESC(CCCCCCC1=NCCN1)CCCCCC1=NCCN1
InChIInChI=1S/C18H34N4/c1(3-5-7-9-11-17-19-13-14-20-17)2-4-6-8-10-12-18-21-15-16-22-18/h1-16H2,(H,19,20)(H,21,22)
InChIKeyBSYISUDRRMXOQK-UHFFFAOYSA-N
XLogP3.67
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole (CID 10402914) is 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole is C(CCCCCCC1=NCCN1)CCCCCC1=NCCN1.
What is the InChIKey of 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole?
The InChIKey is BSYISUDRRMXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1(3-5-7-9-11-17-19-13-14-20-17)2-4-6-8-10-12-18-21-15-16-22-18/h1-16H2,(H,19,20)(H,21,22).
What are the key properties of 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole?
2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole has a molecular weight of 306.50 g/mol, XLogP of 3.67, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(4,5-dihydro-1H-imidazol-2-yl)dodecyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10402914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).