2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol

C14H11N3O — CID 135458811

IUPAC2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C14H11N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-9,18H,(H,16,17)/b15-9+
InChIKeyFRQQCSRPTGTJHF-OQLLNIDSSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds2

About 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol

2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol (PubChem CID 135458811) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol
PubChem CID135458811
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C14H11N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-9,18H,(H,16,17)/b15-9+
InChIKeyFRQQCSRPTGTJHF-OQLLNIDSSA-N
XLogP3.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol?
The IUPAC name of 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol (CID 135458811) is 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol.
What is the SMILES notation for 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol?
The canonical SMILES for 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol is Oc1ccccc1/C=N/c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol?
The InChIKey is FRQQCSRPTGTJHF-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-9,18H,(H,16,17)/b15-9+.
What are the key properties of 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol?
2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol has a molecular weight of 237.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1H-benzimidazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135458811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).