N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide

C16H14N4O3 — CID 135635789

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c1O
InChIInChI=1S/C16H14N4O3/c1-23-14-4-2-3-11(15(14)21)8-19-20-16(22)10-5-6-12-13(7-10)18-9-17-12/h2-9,21H,1H3,(H,17,18)(H,20,22)/b19-8+
InChIKeyQENFGZLLWWLTAV-UFWORHAWSA-N
MW310.31 g/mol
LogP2.04
Rot. Bonds4

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 135635789) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID135635789
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c1O
InChIInChI=1S/C16H14N4O3/c1-23-14-4-2-3-11(15(14)21)8-19-20-16(22)10-5-6-12-13(7-10)18-9-17-12/h2-9,21H,1H3,(H,17,18)(H,20,22)/b19-8+
InChIKeyQENFGZLLWWLTAV-UFWORHAWSA-N
XLogP2.04
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxy-3-methoxyphenyl)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-hydroxy-3-methoxybenzaldehyde 1H-benzimidazol-2-ylhydrazone
CID 135533746
N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 16279719
N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-1H-benzimidazole-5-carbohydrazide
CID 9553521
N'-[(E)-(5-methyl-2-furyl)methylidene]-1H-benzimidazole-6-carbohydrazide
CID 9557777
N'-(3,4-Dimethoxybenzylidene)-1H-benzimidazole-6-carbohydrazide
CID 9557788
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-1H-benzimidazole-5-carbohydrazide
CID 9557789
methyl 4-{(E)-[2-(1H-benzimidazol-6-ylcarbonyl)hydrazinylidene]methyl}benzoate
CID 9616969
N'-(2,3,4-Trimethoxybenzylidene)-1H-benzimidazole-6-carbohydrazide
CID 9660615
N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-benzimidazole-5-carbohydrazide
CID 9660657
N-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 16371646
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-methyl-1H-benzimidazole-6-carbohydrazide
CID 135509001
N'-(3-Allyl-2-hydroxybenzylidene)-1H-benzimidazole-6-carbohydrazide
CID 135550904

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide (CID 135635789) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide is COc1cccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is QENFGZLLWWLTAV-UFWORHAWSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-23-14-4-2-3-11(15(14)21)8-19-20-16(22)10-5-6-12-13(7-10)18-9-17-12/h2-9,21H,1H3,(H,17,18)(H,20,22)/b19-8+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135635789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).