2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole

C17H12Cl2N2O — CID 10236778

IUPAC2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(-c2oc3ccc(Cl)cc3c2C2=NCCN2)c1
InChIInChI=1S/C17H12Cl2N2O/c18-11-3-1-2-10(8-11)16-15(17-20-6-7-21-17)13-9-12(19)4-5-14(13)22-16/h1-5,8-9H,6-7H2,(H,20,21)
InChIKeyJIMQAFXHSKYXFW-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.76
Rot. Bonds2

About 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole

2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 10236778) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID10236778
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(-c2oc3ccc(Cl)cc3c2C2=NCCN2)c1
InChIInChI=1S/C17H12Cl2N2O/c18-11-3-1-2-10(8-11)16-15(17-20-6-7-21-17)13-9-12(19)4-5-14(13)22-16/h1-5,8-9H,6-7H2,(H,20,21)
InChIKeyJIMQAFXHSKYXFW-UHFFFAOYSA-N
XLogP4.76
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole (CID 10236778) is 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole is Clc1cccc(-c2oc3ccc(Cl)cc3c2C2=NCCN2)c1.
What is the InChIKey of 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is JIMQAFXHSKYXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-11-3-1-2-10(8-11)16-15(17-20-6-7-21-17)13-9-12(19)4-5-14(13)22-16/h1-5,8-9H,6-7H2,(H,20,21).
What are the key properties of 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 331.20 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10236778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).