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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Related Compounds

4-(4-anilino-1H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 137001375
4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
CID 71448629
2-(3-fluorophenyl)-N-(4-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 71447355
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
3-[(6-aminoisoquinolin-1-yl)amino]phenol
CID 82570186
4,5-bis(4-methylphenyl)-2-(3-propan-2-ylphenyl)-1H-imidazole
CID 59910776
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol
CID 91373861
2-chloro-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 60726103
N-cyclohexyl-2-phenyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 129316282
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612

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).