3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride

C23H45ClN2 — CID 70445348

IUPAC3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride
SMILESCCCCCCCC/C=C\CCCCCCC(C)(CC)[N+]1=CNCC1.[Cl-]
InChIInChI=1S/C23H44N2.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,5-2)25-21-20-24-22-25;/h12-13,22H,4-11,14-21H2,1-3H3;1H/b13-12-;
InChIKeyIAVJXASPAMJLAX-USGGBSEESA-N
MW385.08 g/mol
LogP3.45
Rot. Bonds16

About 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride

3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride (PubChem CID 70445348) has the molecular formula C23H45ClN2 and a molecular weight of 385.08 g/mol. Its IUPAC name is 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride.

Molecular Properties

Compound Name3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride
PubChem CID70445348
Molecular FormulaC23H45ClN2
Molecular Weight385.08 g/mol
Exact Mass384.33
IUPAC Name3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride
SMILESCCCCCCCC/C=C\CCCCCCC(C)(CC)[N+]1=CNCC1.[Cl-]
InChIInChI=1S/C23H44N2.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,5-2)25-21-20-24-22-25;/h12-13,22H,4-11,14-21H2,1-3H3;1H/b13-12-;
InChIKeyIAVJXASPAMJLAX-USGGBSEESA-N
XLogP3.45
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride?
The IUPAC name of 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride (CID 70445348) is 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride.
What is the SMILES notation for 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride?
The canonical SMILES for 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride is CCCCCCCC/C=C\CCCCCCC(C)(CC)[N+]1=CNCC1.[Cl-].
What is the InChIKey of 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride?
The InChIKey is IAVJXASPAMJLAX-USGGBSEESA-N. The full InChI is InChI=1S/C23H44N2.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,5-2)25-21-20-24-22-25;/h12-13,22H,4-11,14-21H2,1-3H3;1H/b13-12-;.
What are the key properties of 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride?
3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride has a molecular weight of 385.08 g/mol, XLogP of 3.45, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-methylnonadec-10-en-3-yl]-4,5-dihydro-1H-imidazol-3-ium chloride is sourced from PubChem (CID 70445348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).