2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol

C16H14N4O — CID 2358604

IUPAC2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccc[nH]2)cc1/N=C/c1ccc[nH]1
InChIInChI=1S/C16H14N4O/c21-16-6-5-12(19-10-13-3-1-7-17-13)9-15(16)20-11-14-4-2-8-18-14/h1-11,17-18,21H/b19-10+,20-11+
InChIKeyLHLCDYCNPSEQHG-ROUMAOROSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds4

About 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol

2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol (PubChem CID 2358604) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol
PubChem CID2358604
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccc[nH]2)cc1/N=C/c1ccc[nH]1
InChIInChI=1S/C16H14N4O/c21-16-6-5-12(19-10-13-3-1-7-17-13)9-15(16)20-11-14-4-2-8-18-14/h1-11,17-18,21H/b19-10+,20-11+
InChIKeyLHLCDYCNPSEQHG-ROUMAOROSA-N
XLogP3.55
TPSA76.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol?
The IUPAC name of 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol (CID 2358604) is 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol.
What is the SMILES notation for 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol?
The canonical SMILES for 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol is Oc1ccc(/N=C/c2ccc[nH]2)cc1/N=C/c1ccc[nH]1.
What is the InChIKey of 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol?
The InChIKey is LHLCDYCNPSEQHG-ROUMAOROSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16-6-5-12(19-10-13-3-1-7-17-13)9-15(16)20-11-14-4-2-8-18-14/h1-11,17-18,21H/b19-10+,20-11+.
What are the key properties of 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol?
2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol has a molecular weight of 278.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1H-pyrrol-2-ylmethylideneamino)phenol is sourced from PubChem (CID 2358604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).