2-iodo-1-(naphthalen-1-ylmethyl)imidazole

C14H11IN2 — CID 102402216

IUPAC2-iodo-1-(naphthalen-1-ylmethyl)imidazole
SMILESIc1nccn1Cc1cccc2ccccc12
InChIInChI=1S/C14H11IN2/c15-14-16-8-9-17(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2
InChIKeyAVLHFAAODBCKIC-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.69
Rot. Bonds2

About 2-iodo-1-(naphthalen-1-ylmethyl)imidazole

2-iodo-1-(naphthalen-1-ylmethyl)imidazole (PubChem CID 102402216) has the molecular formula C14H11IN2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-iodo-1-(naphthalen-1-ylmethyl)imidazole.

Molecular Properties

Compound Name2-iodo-1-(naphthalen-1-ylmethyl)imidazole
PubChem CID102402216
Molecular FormulaC14H11IN2
Molecular Weight334.16 g/mol
Exact Mass334.00
IUPAC Name2-iodo-1-(naphthalen-1-ylmethyl)imidazole
SMILESIc1nccn1Cc1cccc2ccccc12
InChIInChI=1S/C14H11IN2/c15-14-16-8-9-17(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2
InChIKeyAVLHFAAODBCKIC-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(naphthalen-1-ylmethyl)imidazole?
The IUPAC name of 2-iodo-1-(naphthalen-1-ylmethyl)imidazole (CID 102402216) is 2-iodo-1-(naphthalen-1-ylmethyl)imidazole.
What is the SMILES notation for 2-iodo-1-(naphthalen-1-ylmethyl)imidazole?
The canonical SMILES for 2-iodo-1-(naphthalen-1-ylmethyl)imidazole is Ic1nccn1Cc1cccc2ccccc12.
What is the InChIKey of 2-iodo-1-(naphthalen-1-ylmethyl)imidazole?
The InChIKey is AVLHFAAODBCKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2/c15-14-16-8-9-17(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2.
What are the key properties of 2-iodo-1-(naphthalen-1-ylmethyl)imidazole?
2-iodo-1-(naphthalen-1-ylmethyl)imidazole has a molecular weight of 334.16 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(naphthalen-1-ylmethyl)imidazole is sourced from PubChem (CID 102402216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).