2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole

C20H38N2 — CID 6435860

IUPAC2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCC/C=C\CC1=NCCN1
InChIInChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h15-16H,2-14,17-19H2,1H3,(H,21,22)/b16-15-
InChIKeyCJAYHOLRQJHSIP-NXVVXOECSA-N
MW306.54 g/mol
LogP6.03
Rot. Bonds15

About 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole

2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 6435860) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole
PubChem CID6435860
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCC/C=C\CC1=NCCN1
InChIInChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h15-16H,2-14,17-19H2,1H3,(H,21,22)/b16-15-
InChIKeyCJAYHOLRQJHSIP-NXVVXOECSA-N
XLogP6.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
2-(8-Heptadecen-1-yl)-N-(2-(2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-1H-imidazole-1-ethanamine
CID 107490
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
1H-Imidazole-1-ethanamine, 2-(heptadecen-1-yl)-4,5-dihydro-
CID 117624
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
1-Aminoethyl-2-heptadecenylimidazoline
CID 66689993
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631
N-aminoethyl-2-heptadecenylimidazoline
CID 176267
1H-Imidazole, 4,5-dihydro-2-(9Z)-9-octadecenyl-
CID 6435905

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole (CID 6435860) is 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCC/C=C\CC1=NCCN1.
What is the InChIKey of 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CJAYHOLRQJHSIP-NXVVXOECSA-N. The full InChI is InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h15-16H,2-14,17-19H2,1H3,(H,21,22)/b16-15-.
What are the key properties of 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole?
2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.03, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-heptadec-2-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 6435860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).