6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole

C20H15N5O3 — CID 3007930

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)cc1
InChIInChI=1S/C20H15N5O3/c26-25(27)14-4-1-12(2-5-14)17-7-8-18(28-17)20-23-15-6-3-13(11-16(15)24-20)19-21-9-10-22-19/h1-8,11H,9-10H2,(H,21,22)(H,23,24)
InChIKeyRLMNYIZUGWGTHV-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.75
Rot. Bonds4

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole (PubChem CID 3007930) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole
PubChem CID3007930
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)cc1
InChIInChI=1S/C20H15N5O3/c26-25(27)14-4-1-12(2-5-14)17-7-8-18(28-17)20-23-15-6-3-13(11-16(15)24-20)19-21-9-10-22-19/h1-8,11H,9-10H2,(H,21,22)(H,23,24)
InChIKeyRLMNYIZUGWGTHV-UHFFFAOYSA-N
XLogP3.75
TPSA109.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole (CID 3007930) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole is O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)cc1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole?
The InChIKey is RLMNYIZUGWGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-25(27)14-4-1-12(2-5-14)17-7-8-18(28-17)20-23-15-6-3-13(11-16(15)24-20)19-21-9-10-22-19/h1-8,11H,9-10H2,(H,21,22)(H,23,24).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole has a molecular weight of 373.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 3007930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).