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

C22H19N5O — CID 118986845

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESCc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccccn4)cc3)[nH]c2cc1C
InChIInChI=1S/C22H19N5O/c1-14-11-19-20(12-15(14)2)26-21(25-19)16-6-8-17(9-7-16)22(28)27-24-13-18-5-3-4-10-23-18/h3-13H,1-2H3,(H,25,26)(H,27,28)/b24-13+
InChIKeyIYFNHQGTODAYFT-ZMOGYAJESA-N
MW369.43 g/mol
LogP4.01
Rot. Bonds4

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

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 118986845) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID118986845
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESCc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccccn4)cc3)[nH]c2cc1C
InChIInChI=1S/C22H19N5O/c1-14-11-19-20(12-15(14)2)26-21(25-19)16-6-8-17(9-7-16)22(28)27-24-13-18-5-3-4-10-23-18/h3-13H,1-2H3,(H,25,26)(H,27,28)/b24-13+
InChIKeyIYFNHQGTODAYFT-ZMOGYAJESA-N
XLogP4.01
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (CID 118986845) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccccn4)cc3)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is IYFNHQGTODAYFT-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-11-19-20(12-15(14)2)26-21(25-19)16-6-8-17(9-7-16)22(28)27-24-13-18-5-3-4-10-23-18/h3-13H,1-2H3,(H,25,26)(H,27,28)/b24-13+.
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 369.43 g/mol, XLogP of 4.01, 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)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 118986845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).