2-methyl-5-octadecyl-1H-imidazole;hydrobromide

C22H43BrN2 — CID 174843690

IUPAC2-methyl-5-octadecyl-1H-imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCc1cnc(C)[nH]1
InChIInChI=1S/C22H42N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23-21(2)24-22;/h20H,3-19H2,1-2H3,(H,23,24);1H
InChIKeyUVSURCXNQJZAAH-UHFFFAOYSA-N
MW415.50 g/mol
LogP8.10
Rot. Bonds17

About 2-methyl-5-octadecyl-1H-imidazole;hydrobromide

2-methyl-5-octadecyl-1H-imidazole;hydrobromide (PubChem CID 174843690) has the molecular formula C22H43BrN2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-methyl-5-octadecyl-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-methyl-5-octadecyl-1H-imidazole;hydrobromide
PubChem CID174843690
Molecular FormulaC22H43BrN2
Molecular Weight415.50 g/mol
Exact Mass414.26
IUPAC Name2-methyl-5-octadecyl-1H-imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCc1cnc(C)[nH]1
InChIInChI=1S/C22H42N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23-21(2)24-22;/h20H,3-19H2,1-2H3,(H,23,24);1H
InChIKeyUVSURCXNQJZAAH-UHFFFAOYSA-N
XLogP8.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249
5-(16-chlorohexadecyl)-2-methyl-1H-imidazole
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CID 140833499
2-methyl-5-propyl-1H-imidazole
CID 22956170
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole
CID 174836740
7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264947
5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid
CID 174836743
5-(2-butylhexyl)-2-methyl-1H-imidazole
CID 166754132
N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264954
2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 135080609
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-octadecyl-1H-imidazole;hydrobromide?
The IUPAC name of 2-methyl-5-octadecyl-1H-imidazole;hydrobromide (CID 174843690) is 2-methyl-5-octadecyl-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-methyl-5-octadecyl-1H-imidazole;hydrobromide?
The canonical SMILES for 2-methyl-5-octadecyl-1H-imidazole;hydrobromide is Br.CCCCCCCCCCCCCCCCCCc1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-5-octadecyl-1H-imidazole;hydrobromide?
The InChIKey is UVSURCXNQJZAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23-21(2)24-22;/h20H,3-19H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-methyl-5-octadecyl-1H-imidazole;hydrobromide?
2-methyl-5-octadecyl-1H-imidazole;hydrobromide has a molecular weight of 415.50 g/mol, XLogP of 8.10, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-octadecyl-1H-imidazole;hydrobromide is sourced from PubChem (CID 174843690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).