2-chloro-1-hexadecyl-4,5-dihydroimidazole

C19H37ClN2 — CID 139656970

IUPAC2-chloro-1-hexadecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCN1CCN=C1Cl
InChIInChI=1S/C19H37ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-21-19(22)20/h2-18H2,1H3
InChIKeyWNYQZMUFBFOOPS-UHFFFAOYSA-N
MW328.97 g/mol
LogP6.38
Rot. Bonds15

About 2-chloro-1-hexadecyl-4,5-dihydroimidazole

2-chloro-1-hexadecyl-4,5-dihydroimidazole (PubChem CID 139656970) has the molecular formula C19H37ClN2 and a molecular weight of 328.97 g/mol. Its IUPAC name is 2-chloro-1-hexadecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-chloro-1-hexadecyl-4,5-dihydroimidazole
PubChem CID139656970
Molecular FormulaC19H37ClN2
Molecular Weight328.97 g/mol
Exact Mass328.26
IUPAC Name2-chloro-1-hexadecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCN1CCN=C1Cl
InChIInChI=1S/C19H37ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-21-19(22)20/h2-18H2,1H3
InChIKeyWNYQZMUFBFOOPS-UHFFFAOYSA-N
XLogP6.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.97
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2-methyl-4,5-dihydroimidazole
CID 15395015
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
N,1-dipentyl-4,5-dihydroimidazol-2-amine
CID 70596750
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
1,3-dioctylimidazolidin-2-one
CID 19987667
CID 90309566
CID 90309566
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-hexadecyl-4,5-dihydroimidazole?
The IUPAC name of 2-chloro-1-hexadecyl-4,5-dihydroimidazole (CID 139656970) is 2-chloro-1-hexadecyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-chloro-1-hexadecyl-4,5-dihydroimidazole?
The canonical SMILES for 2-chloro-1-hexadecyl-4,5-dihydroimidazole is CCCCCCCCCCCCCCCCN1CCN=C1Cl.
What is the InChIKey of 2-chloro-1-hexadecyl-4,5-dihydroimidazole?
The InChIKey is WNYQZMUFBFOOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-21-19(22)20/h2-18H2,1H3.
What are the key properties of 2-chloro-1-hexadecyl-4,5-dihydroimidazole?
2-chloro-1-hexadecyl-4,5-dihydroimidazole has a molecular weight of 328.97 g/mol, XLogP of 6.38, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-hexadecyl-4,5-dihydroimidazole is sourced from PubChem (CID 139656970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).