1H-imidazole;2-iodo-2-methylheptane

C11H21IN2 — CID 68937236

IUPAC1H-imidazole;2-iodo-2-methylheptane
SMILESCCCCCC(C)(C)I.c1c[nH]cn1
InChIInChI=1S/C8H17I.C3H4N2/c1-4-5-6-7-8(2,3)9;1-2-5-3-4-1/h4-7H2,1-3H3;1-3H,(H,4,5)
InChIKeyBSHJDAQLRUGHMR-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.19
Rot. Bonds4

About 1H-imidazole;2-iodo-2-methylheptane

1H-imidazole;2-iodo-2-methylheptane (PubChem CID 68937236) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1H-imidazole;2-iodo-2-methylheptane.

Molecular Properties

Compound Name1H-imidazole;2-iodo-2-methylheptane
PubChem CID68937236
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name1H-imidazole;2-iodo-2-methylheptane
SMILESCCCCCC(C)(C)I.c1c[nH]cn1
InChIInChI=1S/C8H17I.C3H4N2/c1-4-5-6-7-8(2,3)9;1-2-5-3-4-1/h4-7H2,1-3H3;1-3H,(H,4,5)
InChIKeyBSHJDAQLRUGHMR-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;2-iodo-2-methylheptane?
The IUPAC name of 1H-imidazole;2-iodo-2-methylheptane (CID 68937236) is 1H-imidazole;2-iodo-2-methylheptane.
What is the SMILES notation for 1H-imidazole;2-iodo-2-methylheptane?
The canonical SMILES for 1H-imidazole;2-iodo-2-methylheptane is CCCCCC(C)(C)I.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;2-iodo-2-methylheptane?
The InChIKey is BSHJDAQLRUGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17I.C3H4N2/c1-4-5-6-7-8(2,3)9;1-2-5-3-4-1/h4-7H2,1-3H3;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;2-iodo-2-methylheptane?
1H-imidazole;2-iodo-2-methylheptane has a molecular weight of 308.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;2-iodo-2-methylheptane is sourced from PubChem (CID 68937236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).