2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole

C10H19IN2 — CID 68984087

IUPAC2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole
SMILESCC(C)CCCN1C=CN(C)C1I
InChIInChI=1S/C10H19IN2/c1-9(2)5-4-6-13-8-7-12(3)10(13)11/h7-10H,4-6H2,1-3H3
InChIKeyQRZVJUMBQZKFRE-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.86
Rot. Bonds4

About 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole

2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole (PubChem CID 68984087) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole.

Molecular Properties

Compound Name2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole
PubChem CID68984087
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC Name2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole
SMILESCC(C)CCCN1C=CN(C)C1I
InChIInChI=1S/C10H19IN2/c1-9(2)5-4-6-13-8-7-12(3)10(13)11/h7-10H,4-6H2,1-3H3
InChIKeyQRZVJUMBQZKFRE-UHFFFAOYSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.86
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-Pentyl-3-methylimidazole
CID 19604648
1-methyl-3-(3-methylbutyl)-2H-imidazole
CID 21917385
1,3-dipentyl-2H-imidazole
CID 66633669
1-ethyl-3-pentyl-2H-imidazole
CID 66835471
1-butyl-3-pentyl-2H-imidazole
CID 66857532
1-pentyl-3-propyl-2H-imidazole
CID 66858673
1-butyl-3-(2-methylpropyl)-2H-imidazole
CID 68780310
1-hexyl-2-iodo-3-methyl-2H-imidazole
CID 68984048
2-iodo-1-methyl-3-pentyl-2H-imidazole
CID 68984497
2-iodo-1-methyl-3-(3-methylbutyl)-2H-imidazole
CID 68984588
2-iodo-1-methyl-3-(2-methylpropyl)-2H-imidazole
CID 68985194
1-ethenyl-3-pentyl-2H-imidazole
CID 69347119

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole?
The IUPAC name of 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole (CID 68984087) is 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole.
What is the SMILES notation for 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole?
The canonical SMILES for 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole is CC(C)CCCN1C=CN(C)C1I.
What is the InChIKey of 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole?
The InChIKey is QRZVJUMBQZKFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2/c1-9(2)5-4-6-13-8-7-12(3)10(13)11/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole?
2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole has a molecular weight of 294.18 g/mol, XLogP of 2.86, 4 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-(4-methylpentyl)-2H-imidazole is sourced from PubChem (CID 68984087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).