1-hexyl-2-iodo-3-methyl-2H-imidazole

C10H19IN2 — CID 68984048

IUPAC1-hexyl-2-iodo-3-methyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1I
InChIInChI=1S/C10H19IN2/c1-3-4-5-6-7-13-9-8-12(2)10(13)11/h8-10H,3-7H2,1-2H3
InChIKeyAWMRQOJACGHHSK-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.00
Rot. Bonds5

About 1-hexyl-2-iodo-3-methyl-2H-imidazole

1-hexyl-2-iodo-3-methyl-2H-imidazole (PubChem CID 68984048) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-hexyl-2-iodo-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-hexyl-2-iodo-3-methyl-2H-imidazole
PubChem CID68984048
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC Name1-hexyl-2-iodo-3-methyl-2H-imidazole
SMILESCCCCCCN1C=CN(C)C1I
InChIInChI=1S/C10H19IN2/c1-3-4-5-6-7-13-9-8-12(2)10(13)11/h8-10H,3-7H2,1-2H3
InChIKeyAWMRQOJACGHHSK-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1-Pentyl-3-methylimidazole
CID 19604648
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-methyl-3-octadecyl-2H-imidazole
CID 18183998
1-Decyl-3-methylimidazole
CID 18513308
1-Hexadecyl-3-methylimidazole
CID 18513310
1-Dodecyl-3-methylimidazole
CID 18513314
1-ethenyl-3-octadecyl-2H-imidazole
CID 18679097

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-iodo-3-methyl-2H-imidazole?
The IUPAC name of 1-hexyl-2-iodo-3-methyl-2H-imidazole (CID 68984048) is 1-hexyl-2-iodo-3-methyl-2H-imidazole.
What is the SMILES notation for 1-hexyl-2-iodo-3-methyl-2H-imidazole?
The canonical SMILES for 1-hexyl-2-iodo-3-methyl-2H-imidazole is CCCCCCN1C=CN(C)C1I.
What is the InChIKey of 1-hexyl-2-iodo-3-methyl-2H-imidazole?
The InChIKey is AWMRQOJACGHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2/c1-3-4-5-6-7-13-9-8-12(2)10(13)11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-hexyl-2-iodo-3-methyl-2H-imidazole?
1-hexyl-2-iodo-3-methyl-2H-imidazole has a molecular weight of 294.18 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-iodo-3-methyl-2H-imidazole is sourced from PubChem (CID 68984048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).