2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole

C20H14Cl2N2 — CID 141256733

IUPAC2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole
SMILESClc1cccc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1Cl
InChIInChI=1S/C20H14Cl2N2/c21-17-7-3-6-16(20(17)22)11-19-23-12-18(24-19)15-9-8-13-4-1-2-5-14(13)10-15/h1-10,12H,11H2,(H,23,24)
InChIKeyARSCNTAYCNTTHG-UHFFFAOYSA-N
MW353.25 g/mol
LogP6.13
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole

2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole (PubChem CID 141256733) has the molecular formula C20H14Cl2N2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole
PubChem CID141256733
Molecular FormulaC20H14Cl2N2
Molecular Weight353.25 g/mol
Exact Mass352.05
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole
SMILESClc1cccc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1Cl
InChIInChI=1S/C20H14Cl2N2/c21-17-7-3-6-16(20(17)22)11-19-23-12-18(24-19)15-9-8-13-4-1-2-5-14(13)10-15/h1-10,12H,11H2,(H,23,24)
InChIKeyARSCNTAYCNTTHG-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 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole (CID 141256733) is 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole is Clc1cccc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole?
The InChIKey is ARSCNTAYCNTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2/c21-17-7-3-6-16(20(17)22)11-19-23-12-18(24-19)15-9-8-13-4-1-2-5-14(13)10-15/h1-10,12H,11H2,(H,23,24).
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole?
2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-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 2-[(2,3-dichlorophenyl)methyl]-5-naphthalen-2-yl-1H-imidazole is sourced from PubChem (CID 141256733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).