N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide

C16H14N4O2 — CID 135509000

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2[nH]1
InChIInChI=1S/C16H14N4O2/c1-10-18-14-7-4-12(8-15(14)19-10)16(22)20-17-9-11-2-5-13(21)6-3-11/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyJQYVQKCMANUWJQ-RQZCQDPDSA-N
MW294.31 g/mol
LogP2.34
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 135509000) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID135509000
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2[nH]1
InChIInChI=1S/C16H14N4O2/c1-10-18-14-7-4-12(8-15(14)19-10)16(22)20-17-9-11-2-5-13(21)6-3-11/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyJQYVQKCMANUWJQ-RQZCQDPDSA-N
XLogP2.34
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.34
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 N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide (CID 135509000) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2[nH]1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is JQYVQKCMANUWJQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-18-14-7-4-12(8-15(14)19-10)16(22)20-17-9-11-2-5-13(21)6-3-11/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135509000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).