2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol

C16H12N4O — CID 44552902

IUPAC2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3ccc(-n4ccnc4)nc3)cc2c1
InChIInChI=1S/C16H12N4O/c21-13-2-3-14-12(7-13)8-15(19-14)11-1-4-16(18-9-11)20-6-5-17-10-20/h1-10,19,21H
InChIKeyRCEJVIHYLCLHQB-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.12
Rot. Bonds2

About 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol

2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol (PubChem CID 44552902) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol
PubChem CID44552902
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3ccc(-n4ccnc4)nc3)cc2c1
InChIInChI=1S/C16H12N4O/c21-13-2-3-14-12(7-13)8-15(19-14)11-1-4-16(18-9-11)20-6-5-17-10-20/h1-10,19,21H
InChIKeyRCEJVIHYLCLHQB-UHFFFAOYSA-N
XLogP3.12
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol?
The IUPAC name of 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol (CID 44552902) is 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol.
What is the SMILES notation for 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol?
The canonical SMILES for 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol is Oc1ccc2[nH]c(-c3ccc(-n4ccnc4)nc3)cc2c1.
What is the InChIKey of 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol?
The InChIKey is RCEJVIHYLCLHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-13-2-3-14-12(7-13)8-15(19-14)11-1-4-16(18-9-11)20-6-5-17-10-20/h1-10,19,21H.
What are the key properties of 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol?
2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol has a molecular weight of 276.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol is sourced from PubChem (CID 44552902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).