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

C25H24N4O3 — CID 136781320

IUPAC2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCC(C)COc1ccc(/C=N/NC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc1
InChIInChI=1S/C25H24N4O3/c1-16(2)15-32-19-10-7-17(8-11-19)14-26-29-25(31)18-9-12-21-22(13-18)28-24(27-21)20-5-3-4-6-23(20)30/h3-14,16,30H,15H2,1-2H3,(H,27,28)(H,29,31)/b26-14+
InChIKeyMRNNCAWOEBUWMX-VULFUBBASA-N
MW428.49 g/mol
LogP4.73
Rot. Bonds7

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

2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 136781320) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID136781320
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCC(C)COc1ccc(/C=N/NC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc1
InChIInChI=1S/C25H24N4O3/c1-16(2)15-32-19-10-7-17(8-11-19)14-26-29-25(31)18-9-12-21-22(13-18)28-24(27-21)20-5-3-4-6-23(20)30/h3-14,16,30H,15H2,1-2H3,(H,27,28)(H,29,31)/b26-14+
InChIKeyMRNNCAWOEBUWMX-VULFUBBASA-N
XLogP4.73
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.73
H-Bond Donors ≤ 53
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'}

Analyze 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110527048
2-(2-hydroxyphenyl)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781283
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 136781359
2-(2-hydroxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781361
2-(2-hydroxyphenyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781271
2-(2-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781372
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 136781294
2-(2-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781383
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 136781386
N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 170838403
2-benzyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526685

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide (CID 136781320) is 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide is CC(C)COc1ccc(/C=N/NC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is MRNNCAWOEBUWMX-VULFUBBASA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16(2)15-32-19-10-7-17(8-11-19)14-26-29-25(31)18-9-12-21-22(13-18)28-24(27-21)20-5-3-4-6-23(20)30/h3-14,16,30H,15H2,1-2H3,(H,27,28)(H,29,31)/b26-14+.
What are the key properties of 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 136781320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).