11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide

C18H33BrN2O2 — CID 173068707

IUPAC11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide
SMILESBr.C=CC(=O)OC(CC)CCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C18H32N2O2.BrH/c1-4-17(22-18(21)5-2)12-10-8-6-7-9-11-13-20-15-14-19(3)16-20;/h5,14-15,17H,2,4,6-13,16H2,1,3H3;1H
InChIKeyQAHRBQNVQTTWFI-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.48
Rot. Bonds12

About 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide

11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide (PubChem CID 173068707) has the molecular formula C18H33BrN2O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide.

Molecular Properties

Compound Name11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide
PubChem CID173068707
Molecular FormulaC18H33BrN2O2
Molecular Weight389.38 g/mol
Exact Mass388.17
IUPAC Name11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide
SMILESBr.C=CC(=O)OC(CC)CCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C18H32N2O2.BrH/c1-4-17(22-18(21)5-2)12-10-8-6-7-9-11-13-20-15-14-19(3)16-20;/h5,14-15,17H,2,4,6-13,16H2,1,3H3;1H
InChIKeyQAHRBQNVQTTWFI-UHFFFAOYSA-N
XLogP4.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11-(3-methyl-2H-imidazol-1-yl)undecyl prop-2-enoate;hydrobromide
CID 173068755
dodecan-3-yl prop-2-enoate
CID 543279
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
ethanol;octan-3-yl prop-2-enoate
CID 158914224
tridecan-5-yl prop-2-enoate
CID 141073146
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
7-hydroxyoctan-3-yl prop-2-enoate
CID 88696843
pentadecan-4-yl prop-2-enoate
CID 543287
4-prop-2-enoyloxyhexane-1-sulfonic acid
CID 154020231

Frequently Asked Questions

What is the IUPAC name of 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide?
The IUPAC name of 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide (CID 173068707) is 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide.
What is the SMILES notation for 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide?
The canonical SMILES for 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide is Br.C=CC(=O)OC(CC)CCCCCCCCN1C=CN(C)C1.
What is the InChIKey of 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide?
The InChIKey is QAHRBQNVQTTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.BrH/c1-4-17(22-18(21)5-2)12-10-8-6-7-9-11-13-20-15-14-19(3)16-20;/h5,14-15,17H,2,4,6-13,16H2,1,3H3;1H.
What are the key properties of 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide?
11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide has a molecular weight of 389.38 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-methyl-2H-imidazol-1-yl)undecan-3-yl prop-2-enoate;hydrobromide is sourced from PubChem (CID 173068707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).