1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine

C16H12N4 — CID 91437172

IUPAC1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(-c2cnc(-n3ccc4ncccc43)[nH]2)cc1
InChIInChI=1S/C16H12N4/c1-2-5-12(6-3-1)14-11-18-16(19-14)20-10-8-13-15(20)7-4-9-17-13/h1-11H,(H,18,19)
InChIKeyQBXSZECRTYPCKK-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.42
Rot. Bonds2

About 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine

1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine (PubChem CID 91437172) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine
PubChem CID91437172
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(-c2cnc(-n3ccc4ncccc43)[nH]2)cc1
InChIInChI=1S/C16H12N4/c1-2-5-12(6-3-1)14-11-18-16(19-14)20-10-8-13-15(20)7-4-9-17-13/h1-11H,(H,18,19)
InChIKeyQBXSZECRTYPCKK-UHFFFAOYSA-N
XLogP3.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine (CID 91437172) is 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine is c1ccc(-c2cnc(-n3ccc4ncccc43)[nH]2)cc1.
What is the InChIKey of 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is QBXSZECRTYPCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-5-12(6-3-1)14-11-18-16(19-14)20-10-8-13-15(20)7-4-9-17-13/h1-11H,(H,18,19).
What are the key properties of 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine?
1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 260.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-imidazol-2-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 91437172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).