(E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine

C20H17N3O — CID 6889583

IUPAC(E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine
SMILESCc1cc2ncn(/N=C/c3ccc(-c4ccccc4)o3)c2cc1C
InChIInChI=1S/C20H17N3O/c1-14-10-18-19(11-15(14)2)23(13-21-18)22-12-17-8-9-20(24-17)16-6-4-3-5-7-16/h3-13H,1-2H3/b22-12+
InChIKeyMCVVPKRSPBWEBC-WSDLNYQXSA-N
MW315.38 g/mol
LogP4.80
Rot. Bonds3

About (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine

(E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine (PubChem CID 6889583) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine
PubChem CID6889583
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name(E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine
SMILESCc1cc2ncn(/N=C/c3ccc(-c4ccccc4)o3)c2cc1C
InChIInChI=1S/C20H17N3O/c1-14-10-18-19(11-15(14)2)23(13-21-18)22-12-17-8-9-20(24-17)16-6-4-3-5-7-16/h3-13H,1-2H3/b22-12+
InChIKeyMCVVPKRSPBWEBC-WSDLNYQXSA-N
XLogP4.80
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine?
The IUPAC name of (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine (CID 6889583) is (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine.
What is the SMILES notation for (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine?
The canonical SMILES for (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine is Cc1cc2ncn(/N=C/c3ccc(-c4ccccc4)o3)c2cc1C.
What is the InChIKey of (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine?
The InChIKey is MCVVPKRSPBWEBC-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-10-18-19(11-15(14)2)23(13-21-18)22-12-17-8-9-20(24-17)16-6-4-3-5-7-16/h3-13H,1-2H3/b22-12+.
What are the key properties of (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine?
(E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine has a molecular weight of 315.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5,6-dimethylbenzimidazol-1-yl)-1-(5-phenylfuran-2-yl)methanimine is sourced from PubChem (CID 6889583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).