5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine

C26H23N3O — CID 149071105

IUPAC5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine
SMILESCOc1cc(-c2cnc3c(c2)C(c2ccc(-c4ncc[nH]4)cc2)=CC3)cc(C)c1C
InChIInChI=1S/C26H23N3O/c1-16-12-20(14-25(30-3)17(16)2)21-13-23-22(8-9-24(23)29-15-21)18-4-6-19(7-5-18)26-27-10-11-28-26/h4-8,10-15H,9H2,1-3H3,(H,27,28)
InChIKeyQNUQRIGZMLIZBL-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.75
Rot. Bonds4

About 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine

5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine (PubChem CID 149071105) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine
PubChem CID149071105
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine
SMILESCOc1cc(-c2cnc3c(c2)C(c2ccc(-c4ncc[nH]4)cc2)=CC3)cc(C)c1C
InChIInChI=1S/C26H23N3O/c1-16-12-20(14-25(30-3)17(16)2)21-13-23-22(8-9-24(23)29-15-21)18-4-6-19(7-5-18)26-27-10-11-28-26/h4-8,10-15H,9H2,1-3H3,(H,27,28)
InChIKeyQNUQRIGZMLIZBL-UHFFFAOYSA-N
XLogP5.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine (CID 149071105) is 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine is COc1cc(-c2cnc3c(c2)C(c2ccc(-c4ncc[nH]4)cc2)=CC3)cc(C)c1C.
What is the InChIKey of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine?
The InChIKey is QNUQRIGZMLIZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-16-12-20(14-25(30-3)17(16)2)21-13-23-22(8-9-24(23)29-15-21)18-4-6-19(7-5-18)26-27-10-11-28-26/h4-8,10-15H,9H2,1-3H3,(H,27,28).
What are the key properties of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine?
5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine has a molecular weight of 393.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 149071105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).