1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid

C15H32ClN3O — CID 161184867

IUPAC1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
SMILESCCCCCCCCCCCCN1CCN=C1N.OCl
InChIInChI=1S/C15H31N3.ClHO/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-17-15(18)16;1-2/h2-14H2,1H3,(H2,16,17);2H
InChIKeyUSYMNCWXHCIFNC-UHFFFAOYSA-N
MW305.89 g/mol
LogP3.67
Rot. Bonds11

About 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid

1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid (PubChem CID 161184867) has the molecular formula C15H32ClN3O and a molecular weight of 305.89 g/mol. Its IUPAC name is 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid.

Molecular Properties

Compound Name1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
PubChem CID161184867
Molecular FormulaC15H32ClN3O
Molecular Weight305.89 g/mol
Exact Mass305.22
IUPAC Name1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
SMILESCCCCCCCCCCCCN1CCN=C1N.OCl
InChIInChI=1S/C15H31N3.ClHO/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-17-15(18)16;1-2/h2-14H2,1H3,(H2,16,17);2H
InChIKeyUSYMNCWXHCIFNC-UHFFFAOYSA-N
XLogP3.67
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
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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Related Compounds

1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
2-chloro-1-hexadecyl-4,5-dihydroimidazole
CID 139656970
1-heptyl-2-methyl-4,5-dihydroimidazole
CID 15395015
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane
CID 144911705
N,1-dipentyl-4,5-dihydroimidazol-2-amine
CID 70596750
1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine
CID 170311743
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
CID 90309566
CID 90309566
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl] hexadecanoate
CID 175285356

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid?
The IUPAC name of 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid (CID 161184867) is 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid.
What is the SMILES notation for 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid?
The canonical SMILES for 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid is CCCCCCCCCCCCN1CCN=C1N.OCl.
What is the InChIKey of 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid?
The InChIKey is USYMNCWXHCIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.ClHO/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-17-15(18)16;1-2/h2-14H2,1H3,(H2,16,17);2H.
What are the key properties of 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid?
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid has a molecular weight of 305.89 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid is sourced from PubChem (CID 161184867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).