2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol

C16H13ClN4O — CID 135824983

IUPAC2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol
SMILESNc1ncc(-c2ccc(Cl)cc2)n1N=Cc1ccccc1O
InChIInChI=1S/C16H13ClN4O/c17-13-7-5-11(6-8-13)14-10-19-16(18)21(14)20-9-12-3-1-2-4-15(12)22/h1-10,22H,(H2,18,19)
InChIKeyIKAWGPSODKDBJG-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.37
Rot. Bonds3

About 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol

2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol (PubChem CID 135824983) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol
PubChem CID135824983
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol
SMILESNc1ncc(-c2ccc(Cl)cc2)n1N=Cc1ccccc1O
InChIInChI=1S/C16H13ClN4O/c17-13-7-5-11(6-8-13)14-10-19-16(18)21(14)20-9-12-3-1-2-4-15(12)22/h1-10,22H,(H2,18,19)
InChIKeyIKAWGPSODKDBJG-UHFFFAOYSA-N
XLogP3.37
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.37
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol?
The IUPAC name of 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol (CID 135824983) is 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol is Nc1ncc(-c2ccc(Cl)cc2)n1N=Cc1ccccc1O.
What is the InChIKey of 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol?
The InChIKey is IKAWGPSODKDBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-13-7-5-11(6-8-13)14-10-19-16(18)21(14)20-9-12-3-1-2-4-15(12)22/h1-10,22H,(H2,18,19).
What are the key properties of 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol?
2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol has a molecular weight of 312.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135824983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).