2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole

C22H20N4S — CID 5478798

IUPAC2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESC(=C/c1cc2cc(C3=NCCN3)ccc2s1)\c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C22H20N4S/c1-4-16(21-23-9-10-24-21)5-2-15(1)3-7-19-14-18-13-17(6-8-20(18)27-19)22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H,23,24)(H,25,26)/b7-3+
InChIKeyJYUMQXUGMMDJIM-XVNBXDOJSA-N
MW372.50 g/mol
LogP3.77
Rot. Bonds4

About 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 5478798) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID5478798
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESC(=C/c1cc2cc(C3=NCCN3)ccc2s1)\c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C22H20N4S/c1-4-16(21-23-9-10-24-21)5-2-15(1)3-7-19-14-18-13-17(6-8-20(18)27-19)22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H,23,24)(H,25,26)/b7-3+
InChIKeyJYUMQXUGMMDJIM-XVNBXDOJSA-N
XLogP3.77
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole (CID 5478798) is 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole is C(=C/c1cc2cc(C3=NCCN3)ccc2s1)\c1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JYUMQXUGMMDJIM-XVNBXDOJSA-N. The full InChI is InChI=1S/C22H20N4S/c1-4-16(21-23-9-10-24-21)5-2-15(1)3-7-19-14-18-13-17(6-8-20(18)27-19)22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H,23,24)(H,25,26)/b7-3+.
What are the key properties of 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 372.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 5478798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).