5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole

C20H14Cl2N2 — CID 90736871

IUPAC5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole
SMILESClc1cccc(-c2cnc(Cc3cccc4ccccc34)[nH]2)c1Cl
InChIInChI=1S/C20H14Cl2N2/c21-17-10-4-9-16(20(17)22)18-12-23-19(24-18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H,23,24)
InChIKeyUMJMYILWOCIABO-UHFFFAOYSA-N
MW353.25 g/mol
LogP6.13
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole

5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole (PubChem CID 90736871) has the molecular formula C20H14Cl2N2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole
PubChem CID90736871
Molecular FormulaC20H14Cl2N2
Molecular Weight353.25 g/mol
Exact Mass352.05
IUPAC Name5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole
SMILESClc1cccc(-c2cnc(Cc3cccc4ccccc34)[nH]2)c1Cl
InChIInChI=1S/C20H14Cl2N2/c21-17-10-4-9-16(20(17)22)18-12-23-19(24-18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H,23,24)
InChIKeyUMJMYILWOCIABO-UHFFFAOYSA-N
XLogP6.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole (CID 90736871) is 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole is Clc1cccc(-c2cnc(Cc3cccc4ccccc34)[nH]2)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole?
The InChIKey is UMJMYILWOCIABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2/c21-17-10-4-9-16(20(17)22)18-12-23-19(24-18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H,23,24).
What are the key properties of 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole?
5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole has a molecular weight of 353.25 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-2-(naphthalen-1-ylmethyl)-1H-imidazole is sourced from PubChem (CID 90736871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).