2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole

C13H22N4 — CID 139882722

IUPAC2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole
SMILESCCC(C=CCC1=NCCN1)CC1=NCCN1
InChIInChI=1S/C13H22N4/c1-2-11(10-13-16-8-9-17-13)4-3-5-12-14-6-7-15-12/h3-4,11H,2,5-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyIBCJMHYVBFMOFN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.35
Rot. Bonds6

About 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole

2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 139882722) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole
PubChem CID139882722
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole
SMILESCCC(C=CCC1=NCCN1)CC1=NCCN1
InChIInChI=1S/C13H22N4/c1-2-11(10-13-16-8-9-17-13)4-3-5-12-14-6-7-15-12/h3-4,11H,2,5-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyIBCJMHYVBFMOFN-UHFFFAOYSA-N
XLogP1.35
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-octa-1,7-dien-4-yl-4,5-dihydro-1H-imidazole
CID 11480793
2-hepta-1,6-dien-4-yl-4,5-dihydro-1H-imidazole
CID 21608200
2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 19790568
2-octadec-9-en-2-yl-4,5-dihydro-1H-imidazole
CID 54308206
4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
CID 54478037
2-octadec-9-en-5-yl-4,5-dihydro-1H-imidazole
CID 56999189
3-(4,5-dihydro-1H-imidazol-2-yl)nonadec-4-en-1-amine
CID 67675672
2-henicos-6-en-5-yl-4,5-dihydro-1H-imidazole
CID 67829077
2-[(Z)-octadec-9-en-2-yl]-4,5-dihydro-1H-imidazole
CID 68453771
2-icos-5-en-4-yl-4,5-dihydro-1H-imidazole
CID 69114878
2-tricos-8-en-7-yl-4,5-dihydro-1H-imidazole
CID 69115153
(Z)-4-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
CID 69528677

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole (CID 139882722) is 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole is CCC(C=CCC1=NCCN1)CC1=NCCN1.
What is the InChIKey of 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is IBCJMHYVBFMOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-11(10-13-16-8-9-17-13)4-3-5-12-14-6-7-15-12/h3-4,11H,2,5-10H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole?
2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 234.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 139882722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).