2-iodo-1,2-dimethyl-3-propylimidazole

C8H15IN2 — CID 66776685

IUPAC2-iodo-1,2-dimethyl-3-propylimidazole
SMILESCCCN1C=CN(C)C1(C)I
InChIInChI=1S/C8H15IN2/c1-4-5-11-7-6-10(3)8(11,2)9/h6-7H,4-5H2,1-3H3
InChIKeyUOCZGSFNLHLWAO-UHFFFAOYSA-N
MW266.13 g/mol
LogP2.22
Rot. Bonds2

About 2-iodo-1,2-dimethyl-3-propylimidazole

2-iodo-1,2-dimethyl-3-propylimidazole (PubChem CID 66776685) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 2-iodo-1,2-dimethyl-3-propylimidazole.

Molecular Properties

Compound Name2-iodo-1,2-dimethyl-3-propylimidazole
PubChem CID66776685
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name2-iodo-1,2-dimethyl-3-propylimidazole
SMILESCCCN1C=CN(C)C1(C)I
InChIInChI=1S/C8H15IN2/c1-4-5-11-7-6-10(3)8(11,2)9/h6-7H,4-5H2,1-3H3
InChIKeyUOCZGSFNLHLWAO-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2,2-difluoro-1,3-dipropylimidazole
CID 140994787
3-heptyl-2-iodo-2-methyl-1,3-thiazole
CID 174345159
2-ethoxy-2-methyl-1-propylpyridine-3,4-dione
CID 45094232
4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxazolidine
CID 174081130
1,3-dipropyl-2H-imidazole-2-carbaldehyde
CID 174378306
1,2-dimethyl-3-propyl-2H-imidazole;hydrate
CID 172840578
N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
CID 69390848
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
CID 69395899
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,2-dimethyl-3-propylimidazole?
The IUPAC name of 2-iodo-1,2-dimethyl-3-propylimidazole (CID 66776685) is 2-iodo-1,2-dimethyl-3-propylimidazole.
What is the SMILES notation for 2-iodo-1,2-dimethyl-3-propylimidazole?
The canonical SMILES for 2-iodo-1,2-dimethyl-3-propylimidazole is CCCN1C=CN(C)C1(C)I.
What is the InChIKey of 2-iodo-1,2-dimethyl-3-propylimidazole?
The InChIKey is UOCZGSFNLHLWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2/c1-4-5-11-7-6-10(3)8(11,2)9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-iodo-1,2-dimethyl-3-propylimidazole?
2-iodo-1,2-dimethyl-3-propylimidazole has a molecular weight of 266.13 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,2-dimethyl-3-propylimidazole is sourced from PubChem (CID 66776685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).