2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole

C11H15IN2 — CID 88964320

IUPAC2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole
SMILESC=C/C(=C\c1nc(I)[nH]c1C)C(C)C
InChIInChI=1S/C11H15IN2/c1-5-9(7(2)3)6-10-8(4)13-11(12)14-10/h5-7H,1H2,2-4H3,(H,13,14)/b9-6+
InChIKeyVJMGDTDHAHRTAP-RMKNXTFCSA-N
MW302.16 g/mol
LogP3.55
Rot. Bonds3

About 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole

2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole (PubChem CID 88964320) has the molecular formula C11H15IN2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole.

Molecular Properties

Compound Name2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole
PubChem CID88964320
Molecular FormulaC11H15IN2
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole
SMILESC=C/C(=C\c1nc(I)[nH]c1C)C(C)C
InChIInChI=1S/C11H15IN2/c1-5-9(7(2)3)6-10-8(4)13-11(12)14-10/h5-7H,1H2,2-4H3,(H,13,14)/b9-6+
InChIKeyVJMGDTDHAHRTAP-RMKNXTFCSA-N
XLogP3.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-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

5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole
CID 177189333
4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one
CID 174359788
2-iodo-5-methyl-1H-imidazole-4-carboxylic acid
CID 22939881
5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine
CID 174193718
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
(5Z)-6-propan-2-ylocta-5,7-dien-4-one
CID 177048553
4-ethyl-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-thiazole
CID 166866048
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(5Z)-4-methylidene-6-propan-2-ylocta-5,7-dien-3-one
CID 142046409
(2-methylphenyl)-[5-[(1E)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrrol-3-yl]methanimine
CID 142803892
5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine
CID 170231382

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole?
The IUPAC name of 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole (CID 88964320) is 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole.
What is the SMILES notation for 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole?
The canonical SMILES for 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole is C=C/C(=C\c1nc(I)[nH]c1C)C(C)C.
What is the InChIKey of 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole?
The InChIKey is VJMGDTDHAHRTAP-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H15IN2/c1-5-9(7(2)3)6-10-8(4)13-11(12)14-10/h5-7H,1H2,2-4H3,(H,13,14)/b9-6+.
What are the key properties of 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole?
2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole has a molecular weight of 302.16 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-imidazole is sourced from PubChem (CID 88964320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).