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

C16H11Cl3N2 — CID 141255841

IUPAC2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole
SMILESClc1ccccc1Cc1ncc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C16H11Cl3N2/c17-12-6-2-1-4-10(12)8-15-20-9-14(21-15)11-5-3-7-13(18)16(11)19/h1-7,9H,8H2,(H,20,21)
InChIKeyZVRVEXQNNPLBSQ-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.63
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole (PubChem CID 141255841) has the molecular formula C16H11Cl3N2 and a molecular weight of 337.64 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole
PubChem CID141255841
Molecular FormulaC16H11Cl3N2
Molecular Weight337.64 g/mol
Exact Mass336.00
IUPAC Name2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole
SMILESClc1ccccc1Cc1ncc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C16H11Cl3N2/c17-12-6-2-1-4-10(12)8-15-20-9-14(21-15)11-5-3-7-13(18)16(11)19/h1-7,9H,8H2,(H,20,21)
InChIKeyZVRVEXQNNPLBSQ-UHFFFAOYSA-N
XLogP5.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole (CID 141255841) is 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole is Clc1ccccc1Cc1ncc(-c2cccc(Cl)c2Cl)[nH]1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole?
The InChIKey is ZVRVEXQNNPLBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2/c17-12-6-2-1-4-10(12)8-15-20-9-14(21-15)11-5-3-7-13(18)16(11)19/h1-7,9H,8H2,(H,20,21).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole?
2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole has a molecular weight of 337.64 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 141255841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).