N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine

C18H12BrN3O — CID 23908299

IUPACN-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine
SMILESBrc1ccc(-c2ccc(C=Nc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C18H12BrN3O/c19-13-7-5-12(6-8-13)17-10-9-14(23-17)11-20-18-21-15-3-1-2-4-16(15)22-18/h1-11H,(H,21,22)
InChIKeyQSFPOZPZBYBFSL-UHFFFAOYSA-N
MW366.22 g/mol
LogP5.34
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine

N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine (PubChem CID 23908299) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine
PubChem CID23908299
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC NameN-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine
SMILESBrc1ccc(-c2ccc(C=Nc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C18H12BrN3O/c19-13-7-5-12(6-8-13)17-10-9-14(23-17)11-20-18-21-15-3-1-2-4-16(15)22-18/h1-11H,(H,21,22)
InChIKeyQSFPOZPZBYBFSL-UHFFFAOYSA-N
XLogP5.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.22
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine (CID 23908299) is N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine is Brc1ccc(-c2ccc(C=Nc3nc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine?
The InChIKey is QSFPOZPZBYBFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-13-7-5-12(6-8-13)17-10-9-14(23-17)11-20-18-21-15-3-1-2-4-16(15)22-18/h1-11H,(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine?
N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine has a molecular weight of 366.22 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 23908299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).