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

C18H14N4O — CID 136591216

IUPAC2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESCc1cccc(-c2nc(O)c(C=C3C=Nc4ncccc43)[nH]2)c1
InChIInChI=1S/C18H14N4O/c1-11-4-2-5-12(8-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)6-3-7-19-17/h2-10,23H,1H3,(H,21,22)
InChIKeyOMSJWMZSUMVUQC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.74
Rot. Bonds2

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

2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (PubChem CID 136591216) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
PubChem CID136591216
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESCc1cccc(-c2nc(O)c(C=C3C=Nc4ncccc43)[nH]2)c1
InChIInChI=1S/C18H14N4O/c1-11-4-2-5-12(8-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)6-3-7-19-17/h2-10,23H,1H3,(H,21,22)
InChIKeyOMSJWMZSUMVUQC-UHFFFAOYSA-N
XLogP3.74
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The IUPAC name of 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (CID 136591216) is 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The canonical SMILES for 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is Cc1cccc(-c2nc(O)c(C=C3C=Nc4ncccc43)[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The InChIKey is OMSJWMZSUMVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-11-4-2-5-12(8-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)6-3-7-19-17/h2-10,23H,1H3,(H,21,22).
What are the key properties of 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol has a molecular weight of 302.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 136591216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).