2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole

C8H15IN2 — CID 68985194

IUPAC2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole
SMILESCC(C)CN1C=CN(C)C1I
InChIInChI=1S/C8H15IN2/c1-7(2)6-11-5-4-10(3)8(11)9/h4-5,7-8H,6H2,1-3H3
InChIKeyKUSLGSUOCWKPGB-UHFFFAOYSA-N
MW266.13 g/mol
LogP2.08
Rot. Bonds2

About 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole

2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole (PubChem CID 68985194) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole.

Molecular Properties

Compound Name2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole
PubChem CID68985194
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole
SMILESCC(C)CN1C=CN(C)C1I
InChIInChI=1S/C8H15IN2/c1-7(2)6-11-5-4-10(3)8(11)9/h4-5,7-8H,6H2,1-3H3
InChIKeyKUSLGSUOCWKPGB-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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

1-Propyl-3-methylimidazole
CID 21917382
1,3-dipropyl-2H-imidazole
CID 19800562
1-Vinyl-3-propyl imidazole
CID 123609156
2-fluoro-1-methyl-3-(2-methylpropyl)-2H-imidazole
CID 66681704
1-methyl-3-(2-methylpropyl)-2H-imidazole
CID 21844790
1-methyl-3-(3-methylbutyl)-2H-imidazole
CID 21917385
1-ethyl-3-propyl-2H-imidazole
CID 23118508
1,3-dimethyl-2-propan-2-yl-2H-imidazole
CID 25232205
2-methyl-1,3-bis(2-methylpropyl)-2H-imidazole
CID 57231974
CID 60029679
CID 60029679
1,2-dimethyl-3-(2-methylpropyl)-2H-imidazole
CID 66680934
1-ethyl-3-(2-methylpropyl)-2H-imidazole
CID 66683088

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole?
The IUPAC name of 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole (CID 68985194) is 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole.
What is the SMILES notation for 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole?
The canonical SMILES for 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole is CC(C)CN1C=CN(C)C1I.
What is the InChIKey of 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole?
The InChIKey is KUSLGSUOCWKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2/c1-7(2)6-11-5-4-10(3)8(11)9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole?
2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole has a molecular weight of 266.13 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole is sourced from PubChem (CID 68985194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).