5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole

C14H26N2 — CID 140580733

IUPAC5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
SMILESCCCCCC(C)(C)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-6-7-8-9-14(4,5)12-10-15-13(16-12)11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyLTXXPABOLPCMHD-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.39
Rot. Bonds6

About 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole

5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole (PubChem CID 140580733) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
PubChem CID140580733
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
SMILESCCCCCC(C)(C)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-6-7-8-9-14(4,5)12-10-15-13(16-12)11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyLTXXPABOLPCMHD-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.39
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

2-ethynyl-5-(2-methylheptan-2-yl)-1H-imidazole
CID 129132503
2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
CID 172810677
5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
CID 152581875
5-(2-methyloctan-2-yl)-1H-imidazole
CID 137457027
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
2,5-di(propan-2-yl)-1H-imidazole
CID 161147285
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
CID 43649883
2-ethynyl-5-(3-methylnonan-3-yl)-1H-imidazole
CID 126513989
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
5-fluoro-2-propan-2-yl-1H-imidazole
CID 146392910
1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine
CID 84766816

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole?
The IUPAC name of 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole (CID 140580733) is 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole is CCCCCC(C)(C)c1cnc(C(C)C)[nH]1.
What is the InChIKey of 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole?
The InChIKey is LTXXPABOLPCMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-7-8-9-14(4,5)12-10-15-13(16-12)11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole?
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 140580733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).