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

C25H24N4O2 — CID 11384386

IUPAC2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C25H24N4O2/c1(2-20-14-18-12-16(4-6-22(18)30-20)24-26-8-9-27-24)3-21-15-19-13-17(5-7-23(19)31-21)25-28-10-11-29-25/h4-7,12-15H,1-3,8-11H2,(H,26,27)(H,28,29)
InChIKeySBGMZUWJZRPJOQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.05
Rot. Bonds6

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

2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11384386) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
PubChem CID11384386
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C25H24N4O2/c1(2-20-14-18-12-16(4-6-22(18)30-20)24-26-8-9-27-24)3-21-15-19-13-17(5-7-23(19)31-21)25-28-10-11-29-25/h4-7,12-15H,1-3,8-11H2,(H,26,27)(H,28,29)
InChIKeySBGMZUWJZRPJOQ-UHFFFAOYSA-N
XLogP4.05
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (CID 11384386) is 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is c1cc2oc(CCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1.
What is the InChIKey of 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is SBGMZUWJZRPJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1(2-20-14-18-12-16(4-6-22(18)30-20)24-26-8-9-27-24)3-21-15-19-13-17(5-7-23(19)31-21)25-28-10-11-29-25/h4-7,12-15H,1-3,8-11H2,(H,26,27)(H,28,29).
What are the key properties of 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 412.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11384386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).