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

C9H17IN2 — CID 68984497

IUPAC2-iodo-1-methyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(C)C1I
InChIInChI=1S/C9H17IN2/c1-3-4-5-6-12-8-7-11(2)9(12)10/h7-9H,3-6H2,1-2H3
InChIKeyPXLYTFMLELMYPS-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.61
Rot. Bonds4

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

2-iodo-1-methyl-3-pentyl-2H-imidazole (PubChem CID 68984497) has the molecular formula C9H17IN2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-iodo-1-methyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name2-iodo-1-methyl-3-pentyl-2H-imidazole
PubChem CID68984497
Molecular FormulaC9H17IN2
Molecular Weight280.15 g/mol
Exact Mass280.04
IUPAC Name2-iodo-1-methyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(C)C1I
InChIInChI=1S/C9H17IN2/c1-3-4-5-6-12-8-7-11(2)9(12)10/h7-9H,3-6H2,1-2H3
InChIKeyPXLYTFMLELMYPS-UHFFFAOYSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.61
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'}

Analyze 2-iodo-1-methyl-3-pentyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-3-methylimidazolium Bromide
CID 25153273
1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Methyl-3-[5-(3-methyl-2-methylideneimidazol-1-yl)pentyl]imidazole-2-selone
CID 177646805
1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1-Pentyl-3-methylimidazole
CID 19604648
2,3-Dimethyl-1-butylimidazole
CID 2782664
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-Decyl-3-methylimidazole
CID 18513308
1,3-dipropyl-2H-imidazole
CID 19800562

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-3-pentyl-2H-imidazole?
The IUPAC name of 2-iodo-1-methyl-3-pentyl-2H-imidazole (CID 68984497) is 2-iodo-1-methyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 2-iodo-1-methyl-3-pentyl-2H-imidazole?
The canonical SMILES for 2-iodo-1-methyl-3-pentyl-2H-imidazole is CCCCCN1C=CN(C)C1I.
What is the InChIKey of 2-iodo-1-methyl-3-pentyl-2H-imidazole?
The InChIKey is PXLYTFMLELMYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2/c1-3-4-5-6-12-8-7-11(2)9(12)10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-iodo-1-methyl-3-pentyl-2H-imidazole?
2-iodo-1-methyl-3-pentyl-2H-imidazole has a molecular weight of 280.15 g/mol, XLogP of 2.61, 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-pentyl-2H-imidazole is sourced from PubChem (CID 68984497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).