2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol

C17H12N4O — CID 135550168

IUPAC2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(-c2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C17H12N4O/c22-17-14(20-15(21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10,22H,(H,20,21)/b12-9+
InChIKeyUOEPUCXADMPDML-FMIVXFBMSA-N
MW288.31 g/mol
LogP3.43
Rot. Bonds2

About 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol

2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135550168) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135550168
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(-c2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C17H12N4O/c22-17-14(20-15(21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10,22H,(H,20,21)/b12-9+
InChIKeyUOEPUCXADMPDML-FMIVXFBMSA-N
XLogP3.43
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135550168) is 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is Oc1nc(-c2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21.
What is the InChIKey of 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is UOEPUCXADMPDML-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-14(20-15(21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10,22H,(H,20,21)/b12-9+.
What are the key properties of 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 288.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135550168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).