2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole

C15H11ClN2OS — CID 57447507

IUPAC2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(-c2ccc3c(C4=NCCN4)occ3c2)s1
InChIInChI=1S/C15H11ClN2OS/c16-13-4-3-12(20-13)9-1-2-11-10(7-9)8-19-14(11)15-17-5-6-18-15/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyOLPKIGYUMNHSAT-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.16
Rot. Bonds2

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

2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole (PubChem CID 57447507) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
PubChem CID57447507
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(-c2ccc3c(C4=NCCN4)occ3c2)s1
InChIInChI=1S/C15H11ClN2OS/c16-13-4-3-12(20-13)9-1-2-11-10(7-9)8-19-14(11)15-17-5-6-18-15/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyOLPKIGYUMNHSAT-UHFFFAOYSA-N
XLogP4.16
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole (CID 57447507) is 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole is Clc1ccc(-c2ccc3c(C4=NCCN4)occ3c2)s1.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is OLPKIGYUMNHSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-13-4-3-12(20-13)9-1-2-11-10(7-9)8-19-14(11)15-17-5-6-18-15/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 302.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57447507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).