2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride

C17H35ClN2O — CID 67885409

IUPAC2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride
SMILESCCCCCCCCCCCC1=[N+](C)C(CCO)CN1.[Cl-]
InChIInChI=1S/C17H34N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-17-18-15-16(13-14-20)19(17)2;/h16,20H,3-15H2,1-2H3;1H
InChIKeyZSEOTMQXJYXAMS-UHFFFAOYSA-N
MW318.93 g/mol
LogP0.31
Rot. Bonds12

About 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride

2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride (PubChem CID 67885409) has the molecular formula C17H35ClN2O and a molecular weight of 318.93 g/mol. Its IUPAC name is 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride.

Molecular Properties

Compound Name2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride
PubChem CID67885409
Molecular FormulaC17H35ClN2O
Molecular Weight318.93 g/mol
Exact Mass318.24
IUPAC Name2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride
SMILESCCCCCCCCCCCC1=[N+](C)C(CCO)CN1.[Cl-]
InChIInChI=1S/C17H34N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-17-18-15-16(13-14-20)19(17)2;/h16,20H,3-15H2,1-2H3;1H
InChIKeyZSEOTMQXJYXAMS-UHFFFAOYSA-N
XLogP0.31
TPSA35.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 123914747
2-(2-octadecyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 19376922
2-(2-undecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethanol acetate
CID 25076563
dodecan-1-ol;phosphane
CID 174820539
octan-1-ol;phosphane
CID 158813059
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
decane;propan-1-ol
CID 157421705
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
2-(4-butylcyclohexyl)ethanol
CID 15085164
3-hexylazetidine
CID 79452100
magnesium;hexan-1-ol;dichloride
CID 174624266

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride?
The IUPAC name of 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride (CID 67885409) is 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride.
What is the SMILES notation for 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride?
The canonical SMILES for 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride is CCCCCCCCCCCC1=[N+](C)C(CCO)CN1.[Cl-].
What is the InChIKey of 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride?
The InChIKey is ZSEOTMQXJYXAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-17-18-15-16(13-14-20)19(17)2;/h16,20H,3-15H2,1-2H3;1H.
What are the key properties of 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride?
2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride has a molecular weight of 318.93 g/mol, XLogP of 0.31, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethanol chloride is sourced from PubChem (CID 67885409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).