3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol

C21H20N4O — CID 71447760

IUPAC3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol
SMILESCC(C)c1cccc(-c2nc3c(Nc4cccc(O)c4)nccc3[nH]2)c1
InChIInChI=1S/C21H20N4O/c1-13(2)14-5-3-6-15(11-14)20-24-18-9-10-22-21(19(18)25-20)23-16-7-4-8-17(26)12-16/h3-13,26H,1-2H3,(H,22,23)(H,24,25)
InChIKeyPEIFVMZVZVLKJO-UHFFFAOYSA-N
MW344.42 g/mol
LogP5.20
Rot. Bonds4

About 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol

3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol (PubChem CID 71447760) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol
PubChem CID71447760
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol
SMILESCC(C)c1cccc(-c2nc3c(Nc4cccc(O)c4)nccc3[nH]2)c1
InChIInChI=1S/C21H20N4O/c1-13(2)14-5-3-6-15(11-14)20-24-18-9-10-22-21(19(18)25-20)23-16-7-4-8-17(26)12-16/h3-13,26H,1-2H3,(H,22,23)(H,24,25)
InChIKeyPEIFVMZVZVLKJO-UHFFFAOYSA-N
XLogP5.20
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol?
The IUPAC name of 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol (CID 71447760) is 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol?
The canonical SMILES for 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol is CC(C)c1cccc(-c2nc3c(Nc4cccc(O)c4)nccc3[nH]2)c1.
What is the InChIKey of 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol?
The InChIKey is PEIFVMZVZVLKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13(2)14-5-3-6-15(11-14)20-24-18-9-10-22-21(19(18)25-20)23-16-7-4-8-17(26)12-16/h3-13,26H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol?
3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol has a molecular weight of 344.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol is sourced from PubChem (CID 71447760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).