4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol

C18H14N4O — CID 137001375

IUPAC4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol
SMILESOc1ccc(-c2nc3c(Nc4ccccc4)nccc3[nH]2)cc1
InChIInChI=1S/C18H14N4O/c23-14-8-6-12(7-9-14)17-21-15-10-11-19-18(16(15)22-17)20-13-4-2-1-3-5-13/h1-11,23H,(H,19,20)(H,21,22)
InChIKeyBQKHIJLXMOGBKY-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.07
Rot. Bonds3

About 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol

4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol (PubChem CID 137001375) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol.

Molecular Properties

Compound Name4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol
PubChem CID137001375
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol
SMILESOc1ccc(-c2nc3c(Nc4ccccc4)nccc3[nH]2)cc1
InChIInChI=1S/C18H14N4O/c23-14-8-6-12(7-9-14)17-21-15-10-11-19-18(16(15)22-17)20-13-4-2-1-3-5-13/h1-11,23H,(H,19,20)(H,21,22)
InChIKeyBQKHIJLXMOGBKY-UHFFFAOYSA-N
XLogP4.07
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol?
The IUPAC name of 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol (CID 137001375) is 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol.
What is the SMILES notation for 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol?
The canonical SMILES for 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol is Oc1ccc(-c2nc3c(Nc4ccccc4)nccc3[nH]2)cc1.
What is the InChIKey of 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol?
The InChIKey is BQKHIJLXMOGBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-14-8-6-12(7-9-14)17-21-15-10-11-19-18(16(15)22-17)20-13-4-2-1-3-5-13/h1-11,23H,(H,19,20)(H,21,22).
What are the key properties of 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol?
4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol has a molecular weight of 302.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol is sourced from PubChem (CID 137001375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).