2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole

C14H11ClN2 — CID 116884464

IUPAC2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole
SMILESCc1ccc2cc(-c3cnc(Cl)[nH]3)ccc2c1
InChIInChI=1S/C14H11ClN2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13-8-16-14(15)17-13/h2-8H,1H3,(H,16,17)
InChIKeyODSNCHCUNNKKKZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.19
Rot. Bonds1

About 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole

2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole (PubChem CID 116884464) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole
PubChem CID116884464
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole
SMILESCc1ccc2cc(-c3cnc(Cl)[nH]3)ccc2c1
InChIInChI=1S/C14H11ClN2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13-8-16-14(15)17-13/h2-8H,1H3,(H,16,17)
InChIKeyODSNCHCUNNKKKZ-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole?
The IUPAC name of 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole (CID 116884464) is 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole.
What is the SMILES notation for 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole?
The canonical SMILES for 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole is Cc1ccc2cc(-c3cnc(Cl)[nH]3)ccc2c1.
What is the InChIKey of 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole?
The InChIKey is ODSNCHCUNNKKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13-8-16-14(15)17-13/h2-8H,1H3,(H,16,17).
What are the key properties of 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole?
2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole has a molecular weight of 242.71 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole is sourced from PubChem (CID 116884464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).