4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide

C21H18N4O2 — CID 118986848

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESCc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccco4)cc3)[nH]c2cc1C
InChIInChI=1S/C21H18N4O2/c1-13-10-18-19(11-14(13)2)24-20(23-18)15-5-7-16(8-6-15)21(26)25-22-12-17-4-3-9-27-17/h3-12H,1-2H3,(H,23,24)(H,25,26)/b22-12+
InChIKeyIMMXZAVOPACDBM-WSDLNYQXSA-N
MW358.40 g/mol
LogP4.20
Rot. Bonds4

About 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide (PubChem CID 118986848) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide
PubChem CID118986848
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESCc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccco4)cc3)[nH]c2cc1C
InChIInChI=1S/C21H18N4O2/c1-13-10-18-19(11-14(13)2)24-20(23-18)15-5-7-16(8-6-15)21(26)25-22-12-17-4-3-9-27-17/h3-12H,1-2H3,(H,23,24)(H,25,26)/b22-12+
InChIKeyIMMXZAVOPACDBM-WSDLNYQXSA-N
XLogP4.20
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-5-methyl-
CID 5768678
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 5344473
2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
N'-[(E)-(5-methyl-2-furyl)methylidene]-1H-benzimidazole-6-carbohydrazide
CID 9557777
N'-[(E)-2-furylmethylidene]-1H-benzimidazole-6-carbohydrazide
CID 9557790
3-{[4-(1H-1,3-Benzodiazol-2-YL)phenyl]amino}-2-[(furan-2-YL)methyl]-2,3-dihydro-1H-isoindol-1-one
CID 5307482
5,6-dimethyl-N-[(E)-(5-phenylfuran-2-yl)methylidene]-1H-benzimidazol-1-amine
CID 6889583
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2-furyl)acrylamide
CID 876026
2-(4-(3-(dimethylamino)propoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11580880
(E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N'-(3-hydroxybenzylidene) benzohydrazide (2)
CID 118986829
(E)-N'-(3,4-dimethoxybenzylidene)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)benzohydrazide (3)
CID 118986830
(E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N'-(3-hydroxy-4-methoxybenzylidene) benzohydrazide (9)
CID 118986836

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide (CID 118986848) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide is Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccco4)cc3)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The InChIKey is IMMXZAVOPACDBM-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-10-18-19(11-14(13)2)24-20(23-18)15-5-7-16(8-6-15)21(26)25-22-12-17-4-3-9-27-17/h3-12H,1-2H3,(H,23,24)(H,25,26)/b22-12+.
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide has a molecular weight of 358.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 118986848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).