1-(2-methylundecan-2-yl)imidazole

C15H28N2 — CID 151900805

IUPAC1-(2-methylundecan-2-yl)imidazole
SMILESCCCCCCCCCC(C)(C)n1ccnc1
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-10-11-15(2,3)17-13-12-16-14-17/h12-14H,4-11H2,1-3H3
InChIKeySSSMKWCZZLPTKN-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.76
Rot. Bonds9

About 1-(2-methylundecan-2-yl)imidazole

1-(2-methylundecan-2-yl)imidazole (PubChem CID 151900805) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(2-methylundecan-2-yl)imidazole.

Molecular Properties

Compound Name1-(2-methylundecan-2-yl)imidazole
PubChem CID151900805
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(2-methylundecan-2-yl)imidazole
SMILESCCCCCCCCCC(C)(C)n1ccnc1
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-10-11-15(2,3)17-13-12-16-14-17/h12-14H,4-11H2,1-3H3
InChIKeySSSMKWCZZLPTKN-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-imidazol-1-yltridecan-2-ol
CID 87316839
1-(2-imidazol-1-ylhexan-2-yl)imidazole
CID 174761890
4-(2-methyloctan-2-yl)-1,2,4-triazole
CID 146620696
2-imidazol-1-yl-2-octyldecanamide
CID 175292501
1-(4-butyl-3-methyldocosan-3-yl)imidazole
CID 69391247
1-(4-ethyloctan-4-yl)imidazole
CID 57179751
hexadecane;1-iodoimidazole
CID 174619636
1-ethylimidazole;octane
CID 145297576
(2-imidazol-1-yl-2-methylpropyl) hypoiodite
CID 170391242
N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine
CID 146436404
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
3-imidazol-1-yl-3-methylbutanoic acid
CID 84653037

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylundecan-2-yl)imidazole?
The IUPAC name of 1-(2-methylundecan-2-yl)imidazole (CID 151900805) is 1-(2-methylundecan-2-yl)imidazole.
What is the SMILES notation for 1-(2-methylundecan-2-yl)imidazole?
The canonical SMILES for 1-(2-methylundecan-2-yl)imidazole is CCCCCCCCCC(C)(C)n1ccnc1.
What is the InChIKey of 1-(2-methylundecan-2-yl)imidazole?
The InChIKey is SSSMKWCZZLPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-5-6-7-8-9-10-11-15(2,3)17-13-12-16-14-17/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(2-methylundecan-2-yl)imidazole?
1-(2-methylundecan-2-yl)imidazole has a molecular weight of 236.40 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylundecan-2-yl)imidazole is sourced from PubChem (CID 151900805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).