4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol

C21H17N3O — CID 136242884

IUPAC4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
SMILESCC1=CC(=CC=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=NC=C4
InChIInChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24)
InChIKeyYYJPOMCMGUTTHB-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.00
Rot. Bonds3

About 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol

4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol (PubChem CID 136242884) has the molecular formula C21H17N3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
PubChem CID136242884
Molecular FormulaC21H17N3O
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
SMILESCC1=CC(=CC=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=NC=C4
InChIInChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24)
InChIKeyYYJPOMCMGUTTHB-UHFFFAOYSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity417

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sb-202190
CID 5169
Pki-166
CID 6918403
4-(4,5-Diphenyl-1H-imidazol-2-yl)phenol (for Biochemical Research)
CID 352144
RP107
CID 448912
2-((N-(1-(1H-Imidazol-4-yl)-2-propyl)imino)phenylmethyl)phenol
CID 132222
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-(5-(4-chlorophenyl)-4-(pyridin-3-yl)-1H-imidazol-2-yl)phenol
CID 388623
L-779,450
CID 9950176
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
(S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
CID 9909946
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-
CID 3074845

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol (CID 136242884) is 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol is CC1=CC(=CC=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=NC=C4.
What is the InChIKey of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
The InChIKey is YYJPOMCMGUTTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-3-2-4-17(13-14)20-19(15-9-11-22-12-10-15)23-21(24-20)16-5-7-18(25)8-6-16/h2-13,25H,1H3,(H,23,24).
What are the key properties of 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol has a molecular weight of 327.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 136242884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).