2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole

C19H34N4 — CID 150338397

IUPAC2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCC=CC(C1=NCCN1)C1=NCCN1
InChIInChI=1S/C19H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-17(18-20-13-14-21-18)19-22-15-16-23-19/h11-12,17H,2-10,13-16H2,1H3,(H,20,21)(H,22,23)
InChIKeyGREAKSGVVUVGED-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.69
Rot. Bonds12

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

2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 150338397) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
PubChem CID150338397
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCC=CC(C1=NCCN1)C1=NCCN1
InChIInChI=1S/C19H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-17(18-20-13-14-21-18)19-22-15-16-23-19/h11-12,17H,2-10,13-16H2,1H3,(H,20,21)(H,22,23)
InChIKeyGREAKSGVVUVGED-UHFFFAOYSA-N
XLogP3.69
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole
CID 174291982
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
CID 67644181
N-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methylicos-11-en-2-yl]octadec-9-enamide
CID 56633350
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one
CID 70346591
(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406813
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole (CID 150338397) is 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole is CCCCCCCCCCC=CC(C1=NCCN1)C1=NCCN1.
What is the InChIKey of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GREAKSGVVUVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-17(18-20-13-14-21-18)19-22-15-16-23-19/h11-12,17H,2-10,13-16H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole?
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 318.51 g/mol, XLogP of 3.69, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 150338397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).