2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole

C24H18N4O — CID 25139630

IUPAC2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc4oc(-c5ccc(C6=NCCN6)cc5)cc4c3)nc2c1
InChIInChI=1S/C24H18N4O/c1-2-4-20-19(3-1)27-24(28-20)17-9-10-21-18(13-17)14-22(29-21)15-5-7-16(8-6-15)23-25-11-12-26-23/h1-10,13-14H,11-12H2,(H,25,26)(H,27,28)
InChIKeyAYXCFLPEBWQVMM-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.99
Rot. Bonds3

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

2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole (PubChem CID 25139630) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole
PubChem CID25139630
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc4oc(-c5ccc(C6=NCCN6)cc5)cc4c3)nc2c1
InChIInChI=1S/C24H18N4O/c1-2-4-20-19(3-1)27-24(28-20)17-9-10-21-18(13-17)14-22(29-21)15-5-7-16(8-6-15)23-25-11-12-26-23/h1-10,13-14H,11-12H2,(H,25,26)(H,27,28)
InChIKeyAYXCFLPEBWQVMM-UHFFFAOYSA-N
XLogP4.99
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole (CID 25139630) is 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc4oc(-c5ccc(C6=NCCN6)cc5)cc4c3)nc2c1.
What is the InChIKey of 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole?
The InChIKey is AYXCFLPEBWQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-2-4-20-19(3-1)27-24(28-20)17-9-10-21-18(13-17)14-22(29-21)15-5-7-16(8-6-15)23-25-11-12-26-23/h1-10,13-14H,11-12H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole?
2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole has a molecular weight of 378.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-yl]-1H-benzimidazole is sourced from PubChem (CID 25139630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).