4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen

C20H20N4O3 — CID 172924111

IUPAC4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen
SMILESO=C(N/N=C/c1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1.[H][H].[H][H]
InChIInChI=1S/C20H16N4O3.2H2/c25-20(24-21-12-16-4-3-11-26-16)14-7-9-15(10-8-14)27-13-19-22-17-5-1-2-6-18(17)23-19;;/h1-12H,13H2,(H,22,23)(H,24,25);2*1H/b21-12+;;
InChIKeyXRDFZOSVYIPAIG-VNFMCAGGSA-N
MW364.41 g/mol
LogP3.99
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen

4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen (PubChem CID 172924111) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen
PubChem CID172924111
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen
SMILESO=C(N/N=C/c1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1.[H][H].[H][H]
InChIInChI=1S/C20H16N4O3.2H2/c25-20(24-21-12-16-4-3-11-26-16)14-7-9-15(10-8-14)27-13-19-22-17-5-1-2-6-18(17)23-19;;/h1-12H,13H2,(H,22,23)(H,24,25);2*1H/b21-12+;;
InChIKeyXRDFZOSVYIPAIG-VNFMCAGGSA-N
XLogP3.99
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 75087446
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464
N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 3298414
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 5430494
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen (CID 172924111) is 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen is O=C(N/N=C/c1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1.[H][H].[H][H].
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen?
The InChIKey is XRDFZOSVYIPAIG-VNFMCAGGSA-N. The full InChI is InChI=1S/C20H16N4O3.2H2/c25-20(24-21-12-16-4-3-11-26-16)14-7-9-15(10-8-14)27-13-19-22-17-5-1-2-6-18(17)23-19;;/h1-12H,13H2,(H,22,23)(H,24,25);2*1H/b21-12+;;.
What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen?
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen has a molecular weight of 364.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen is sourced from PubChem (CID 172924111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).