4-iodo-5-methyl-2-propan-2-yl-1H-imidazole

C7H11IN2 — CID 90030591

IUPAC4-iodo-5-methyl-2-propan-2-yl-1H-imidazole
SMILESCc1[nH]c(C(C)C)nc1I
InChIInChI=1S/C7H11IN2/c1-4(2)7-9-5(3)6(8)10-7/h4H,1-3H3,(H,9,10)
InChIKeyYICHTGHADNIOMA-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.45
Rot. Bonds1

About 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole

4-iodo-5-methyl-2-propan-2-yl-1H-imidazole (PubChem CID 90030591) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-iodo-5-methyl-2-propan-2-yl-1H-imidazole
PubChem CID90030591
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name4-iodo-5-methyl-2-propan-2-yl-1H-imidazole
SMILESCc1[nH]c(C(C)C)nc1I
InChIInChI=1S/C7H11IN2/c1-4(2)7-9-5(3)6(8)10-7/h4H,1-3H3,(H,9,10)
InChIKeyYICHTGHADNIOMA-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole?
The IUPAC name of 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole (CID 90030591) is 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole is Cc1[nH]c(C(C)C)nc1I.
What is the InChIKey of 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole?
The InChIKey is YICHTGHADNIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2/c1-4(2)7-9-5(3)6(8)10-7/h4H,1-3H3,(H,9,10).
What are the key properties of 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole?
4-iodo-5-methyl-2-propan-2-yl-1H-imidazole has a molecular weight of 250.08 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 90030591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).