4-methyl-2-undecylimidazole-1-carbonitrile

C16H27N3 — CID 142744068

IUPAC4-methyl-2-undecylimidazole-1-carbonitrile
SMILESCCCCCCCCCCCc1nc(C)cn1C#N
InChIInChI=1S/C16H27N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-15(2)13-19(16)14-17/h13H,3-12H2,1-2H3
InChIKeyGSRMNTKVUCZHSD-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.59
Rot. Bonds10

About 4-methyl-2-undecylimidazole-1-carbonitrile

4-methyl-2-undecylimidazole-1-carbonitrile (PubChem CID 142744068) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-methyl-2-undecylimidazole-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-undecylimidazole-1-carbonitrile
PubChem CID142744068
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-methyl-2-undecylimidazole-1-carbonitrile
SMILESCCCCCCCCCCCc1nc(C)cn1C#N
InChIInChI=1S/C16H27N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-15(2)13-19(16)14-17/h13H,3-12H2,1-2H3
InChIKeyGSRMNTKVUCZHSD-UHFFFAOYSA-N
XLogP4.59
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methyl-2-undecylimidazol-1-yl)propanenitrile
CID 170847829
2-decyl-4-methylimidazol-1-amine
CID 154390416
1-(2-hexyl-4-methylimidazol-1-yl)ethanamine
CID 174643052
6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 70808083
2,4-didecyl-1-methylimidazole
CID 68813551
2,4-dimethyl-1-pentylimidazole
CID 134592157
1-methyl-2-nonylimidazole
CID 67393993
1-bromo-2-heptylimidazole
CID 141436995
1-methyl-2-pentadecylimidazole
CID 68899434
1,4-didecyl-2-methylimidazole;hydrobromide
CID 173322060
4-chloro-1,2-dihexylimidazole
CID 141131957
2-undecylimidazol-1-amine
CID 19980062

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-undecylimidazole-1-carbonitrile?
The IUPAC name of 4-methyl-2-undecylimidazole-1-carbonitrile (CID 142744068) is 4-methyl-2-undecylimidazole-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-undecylimidazole-1-carbonitrile?
The canonical SMILES for 4-methyl-2-undecylimidazole-1-carbonitrile is CCCCCCCCCCCc1nc(C)cn1C#N.
What is the InChIKey of 4-methyl-2-undecylimidazole-1-carbonitrile?
The InChIKey is GSRMNTKVUCZHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-4-5-6-7-8-9-10-11-12-16-18-15(2)13-19(16)14-17/h13H,3-12H2,1-2H3.
What are the key properties of 4-methyl-2-undecylimidazole-1-carbonitrile?
4-methyl-2-undecylimidazole-1-carbonitrile has a molecular weight of 261.41 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-undecylimidazole-1-carbonitrile is sourced from PubChem (CID 142744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).