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

C23H20N4O2 — CID 136969157

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc3)[nH]c2cc1C
InChIInChI=1S/C23H20N4O2/c1-14-11-20-21(12-15(14)2)26-22(25-20)17-5-7-18(8-6-17)23(29)27-24-13-16-3-9-19(28)10-4-16/h3-13,28H,1-2H3,(H,25,26)(H,27,29)/b24-13+
InChIKeyXPQQESOTCMRUBY-ZMOGYAJESA-N
MW384.44 g/mol
LogP4.32
Rot. Bonds4

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

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136969157) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136969157
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc3)[nH]c2cc1C
InChIInChI=1S/C23H20N4O2/c1-14-11-20-21(12-15(14)2)26-22(25-20)17-5-7-18(8-6-17)23(29)27-24-13-16-3-9-19(28)10-4-16/h3-13,28H,1-2H3,(H,25,26)(H,27,29)/b24-13+
InChIKeyXPQQESOTCMRUBY-ZMOGYAJESA-N
XLogP4.32
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 136969157) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc3)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is XPQQESOTCMRUBY-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-11-20-21(12-15(14)2)26-22(25-20)17-5-7-18(8-6-17)23(29)27-24-13-16-3-9-19(28)10-4-16/h3-13,28H,1-2H3,(H,25,26)(H,27,29)/b24-13+.
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 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)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136969157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).