1-docosan-5-ylimidazole

C25H48N2 — CID 135305816

IUPAC1-docosan-5-ylimidazole
SMILESCCCCCCCCCCCCCCCCCC(CCCC)n1ccnc1
InChIInChI=1S/C25H48N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(20-6-4-2)27-23-22-26-24-27/h22-25H,3-21H2,1-2H3
InChIKeyDOHFXKUKAWOVPE-UHFFFAOYSA-N
MW376.67 g/mol
LogP8.88
Rot. Bonds20

About 1-docosan-5-ylimidazole

1-docosan-5-ylimidazole (PubChem CID 135305816) has the molecular formula C25H48N2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 1-docosan-5-ylimidazole.

Molecular Properties

Compound Name1-docosan-5-ylimidazole
PubChem CID135305816
Molecular FormulaC25H48N2
Molecular Weight376.67 g/mol
Exact Mass376.38
IUPAC Name1-docosan-5-ylimidazole
SMILESCCCCCCCCCCCCCCCCCC(CCCC)n1ccnc1
InChIInChI=1S/C25H48N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(20-6-4-2)27-23-22-26-24-27/h22-25H,3-21H2,1-2H3
InChIKeyDOHFXKUKAWOVPE-UHFFFAOYSA-N
XLogP8.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-docosan-5-ylimidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-octadecan-4-ylimidazole
CID 174516132
3-imidazol-1-yldodecan-1-ol
CID 174685778
10-imidazol-1-yloctadecanoic acid
CID 86691655
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
2-imidazol-1-yltridecanoic acid
CID 69479791
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
1-hexan-3-ylimidazole
CID 54145075
formic acid;1-octan-2-ylimidazole
CID 175596795
1-[(2S)-1,5-dibutoxypentan-2-yl]imidazole
CID 101426270

Frequently Asked Questions

What is the IUPAC name of 1-docosan-5-ylimidazole?
The IUPAC name of 1-docosan-5-ylimidazole (CID 135305816) is 1-docosan-5-ylimidazole.
What is the SMILES notation for 1-docosan-5-ylimidazole?
The canonical SMILES for 1-docosan-5-ylimidazole is CCCCCCCCCCCCCCCCCC(CCCC)n1ccnc1.
What is the InChIKey of 1-docosan-5-ylimidazole?
The InChIKey is DOHFXKUKAWOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(20-6-4-2)27-23-22-26-24-27/h22-25H,3-21H2,1-2H3.
What are the key properties of 1-docosan-5-ylimidazole?
1-docosan-5-ylimidazole has a molecular weight of 376.67 g/mol, XLogP of 8.88, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-docosan-5-ylimidazole is sourced from PubChem (CID 135305816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).