2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol

C15H13N3O2 — CID 137122842

IUPAC2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H13N3O2/c1-20-12-3-5-15(19)10(6-12)8-16-11-2-4-13-14(7-11)18-9-17-13/h2-9,19H,1H3,(H,17,18)/b16-8+
InChIKeyLWCHXCBGPFLMRZ-LZYBPNLTSA-N
MW267.29 g/mol
LogP3.03
Rot. Bonds3

About 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol

2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol (PubChem CID 137122842) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol
PubChem CID137122842
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H13N3O2/c1-20-12-3-5-15(19)10(6-12)8-16-11-2-4-13-14(7-11)18-9-17-13/h2-9,19H,1H3,(H,17,18)/b16-8+
InChIKeyLWCHXCBGPFLMRZ-LZYBPNLTSA-N
XLogP3.03
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3H-benzimidazol-5-yliminomethyl)-4-methylphenol
CID 135988522
2-(3H-benzimidazol-5-yliminomethyl)-3-methoxyphenol
CID 622517
2-(3H-benzimidazol-5-yliminomethyl)-4-nitrophenol
CID 3094369
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
6-(4-methoxyphenoxy)-1H-benzimidazole
CID 59279300
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
4-methoxy-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 935743

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol?
The IUPAC name of 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol (CID 137122842) is 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol?
The canonical SMILES for 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol is COc1ccc(O)c(/C=N/c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol?
The InChIKey is LWCHXCBGPFLMRZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-12-3-5-15(19)10(6-12)8-16-11-2-4-13-14(7-11)18-9-17-13/h2-9,19H,1H3,(H,17,18)/b16-8+.
What are the key properties of 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol?
2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol has a molecular weight of 267.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol is sourced from PubChem (CID 137122842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).