2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol

C21H17N3O — CID 139199114

IUPAC2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol
SMILESCn1c(-c2ccccc2/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C21H17N3O/c1-24-19-12-6-5-11-18(19)23-21(24)16-9-3-4-10-17(16)22-14-15-8-2-7-13-20(15)25/h2-14,25H,1H3/b22-14+
InChIKeyNELHADBSUUFCJV-HYARGMPZSA-N
MW327.39 g/mol
LogP4.70
Rot. Bonds3

About 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol

2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 139199114) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID139199114
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol
SMILESCn1c(-c2ccccc2/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C21H17N3O/c1-24-19-12-6-5-11-18(19)23-21(24)16-9-3-4-10-17(16)22-14-15-8-2-7-13-20(15)25/h2-14,25H,1H3/b22-14+
InChIKeyNELHADBSUUFCJV-HYARGMPZSA-N
XLogP4.70
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol (CID 139199114) is 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol is Cn1c(-c2ccccc2/N=C/c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is NELHADBSUUFCJV-HYARGMPZSA-N. The full InChI is InChI=1S/C21H17N3O/c1-24-19-12-6-5-11-18(19)23-21(24)16-9-3-4-10-17(16)22-14-15-8-2-7-13-20(15)25/h2-14,25H,1H3/b22-14+.
What are the key properties of 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol?
2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 327.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 139199114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).