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

C24H22N4O2 — CID 11246528

IUPAC2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C24H22N4O2/c1-5-21-17(11-15(1)23-25-7-8-26-23)13-19(29-21)3-4-20-14-18-12-16(2-6-22(18)30-20)24-27-9-10-28-24/h1-2,5-6,11-14H,3-4,7-10H2,(H,25,26)(H,27,28)
InChIKeyLTRWDQBKPPYDOO-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.66
Rot. Bonds5

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

2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11246528) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
PubChem CID11246528
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C24H22N4O2/c1-5-21-17(11-15(1)23-25-7-8-26-23)13-19(29-21)3-4-20-14-18-12-16(2-6-22(18)30-20)24-27-9-10-28-24/h1-2,5-6,11-14H,3-4,7-10H2,(H,25,26)(H,27,28)
InChIKeyLTRWDQBKPPYDOO-UHFFFAOYSA-N
XLogP3.66
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (CID 11246528) is 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is c1cc2oc(CCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1.
What is the InChIKey of 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is LTRWDQBKPPYDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-5-21-17(11-15(1)23-25-7-8-26-23)13-19(29-21)3-4-20-14-18-12-16(2-6-22(18)30-20)24-27-9-10-28-24/h1-2,5-6,11-14H,3-4,7-10H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 398.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11246528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).