N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride

C30H60ClN3O — CID 173188481

IUPACN-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride
SMILESCCCCCCCCCCCCC1=NCCN1C(CC)NC(=O)CCCCCCCCCCC.Cl
InChIInChI=1S/C30H59N3O.ClH/c1-4-7-9-11-13-15-17-18-20-22-24-29-31-26-27-33(29)28(6-3)32-30(34)25-23-21-19-16-14-12-10-8-5-2;/h28H,4-27H2,1-3H3,(H,32,34);1H
InChIKeyIGNQWKIEQKAJHX-UHFFFAOYSA-N
MW514.28 g/mol
LogP9.21
Rot. Bonds24

About N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride

N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride (PubChem CID 173188481) has the molecular formula C30H60ClN3O and a molecular weight of 514.28 g/mol. Its IUPAC name is N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride
PubChem CID173188481
Molecular FormulaC30H60ClN3O
Molecular Weight514.28 g/mol
Exact Mass513.44
IUPAC NameN-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride
SMILESCCCCCCCCCCCCC1=NCCN1C(CC)NC(=O)CCCCCCCCCCC.Cl
InChIInChI=1S/C30H59N3O.ClH/c1-4-7-9-11-13-15-17-18-20-22-24-29-31-26-27-33(29)28(6-3)32-30(34)25-23-21-19-16-14-12-10-8-5-2;/h28H,4-27H2,1-3H3,(H,32,34);1H
InChIKeyIGNQWKIEQKAJHX-UHFFFAOYSA-N
XLogP9.21
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.28
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
CID 67907386
N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
CID 177084896
3-(2-octadecyl-4,5-dihydroimidazol-1-yl)pentanoic acid
CID 122613373
2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
CID 154332783
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid
CID 122611617
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
CID 3017980
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
N-[1-[4-[1-[[(Z)-octadec-9-enoyl]amino]propyl]piperazin-1-yl]propyl]octadec-9-enamide
CID 175579262

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride?
The IUPAC name of N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride (CID 173188481) is N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride?
The canonical SMILES for N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride is CCCCCCCCCCCCC1=NCCN1C(CC)NC(=O)CCCCCCCCCCC.Cl.
What is the InChIKey of N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride?
The InChIKey is IGNQWKIEQKAJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N3O.ClH/c1-4-7-9-11-13-15-17-18-20-22-24-29-31-26-27-33(29)28(6-3)32-30(34)25-23-21-19-16-14-12-10-8-5-2;/h28H,4-27H2,1-3H3,(H,32,34);1H.
What are the key properties of N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride?
N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride has a molecular weight of 514.28 g/mol, XLogP of 9.21, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride is sourced from PubChem (CID 173188481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).