1-benzyl-4-iodo-5-(2-methylphenyl)imidazole

C17H15IN2 — CID 73056712

IUPAC1-benzyl-4-iodo-5-(2-methylphenyl)imidazole
SMILESCc1ccccc1-c1c(I)ncn1Cc1ccccc1
InChIInChI=1S/C17H15IN2/c1-13-7-5-6-10-15(13)16-17(18)19-12-20(16)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3
InChIKeyDHWSCFGLNHJTJB-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.51
Rot. Bonds3

About 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole

1-benzyl-4-iodo-5-(2-methylphenyl)imidazole (PubChem CID 73056712) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole.

Molecular Properties

Compound Name1-benzyl-4-iodo-5-(2-methylphenyl)imidazole
PubChem CID73056712
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name1-benzyl-4-iodo-5-(2-methylphenyl)imidazole
SMILESCc1ccccc1-c1c(I)ncn1Cc1ccccc1
InChIInChI=1S/C17H15IN2/c1-13-7-5-6-10-15(13)16-17(18)19-12-20(16)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3
InChIKeyDHWSCFGLNHJTJB-UHFFFAOYSA-N
XLogP4.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-7-methylbenzimidazole
CID 10933051
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione
CID 11312718
3-benzylimidazo[4,5-b]pyridine
CID 11009167
1-benzyl-4-butyl-5-(2-methylphenyl)triazole
CID 102474944
1-benzyl-7-(2-methylphenyl)benzotriazole
CID 177481285
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
2-(1-benzyl-5-methylimidazol-4-yl)ethanamine
CID 14375242
1-benzyl-5-methylbenzimidazole
CID 12620837
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 4985670
1-benzyl-2-methylimidazole
CID 158634472
3-benzyl-5-ethylimidazol-4-amine
CID 58192367

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole?
The IUPAC name of 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole (CID 73056712) is 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole.
What is the SMILES notation for 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole?
The canonical SMILES for 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole is Cc1ccccc1-c1c(I)ncn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole?
The InChIKey is DHWSCFGLNHJTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c1-13-7-5-6-10-15(13)16-17(18)19-12-20(16)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3.
What are the key properties of 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole?
1-benzyl-4-iodo-5-(2-methylphenyl)imidazole has a molecular weight of 374.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-iodo-5-(2-methylphenyl)imidazole is sourced from PubChem (CID 73056712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).