[2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol

C25H21N3O3 — CID 167504498

IUPAC[2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol
SMILESOCc1c(Oc2cccc(-c3ncc(C(O)c4ccccc4)[nH]3)c2)ccc2[nH]ccc12
InChIInChI=1S/C25H21N3O3/c29-15-20-19-11-12-26-21(19)9-10-23(20)31-18-8-4-7-17(13-18)25-27-14-22(28-25)24(30)16-5-2-1-3-6-16/h1-14,24,26,29-30H,15H2,(H,27,28)
InChIKeyJTPWTTMCFYSBJI-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.92
Rot. Bonds6

About [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol

[2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol (PubChem CID 167504498) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol
PubChem CID167504498
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name[2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol
SMILESOCc1c(Oc2cccc(-c3ncc(C(O)c4ccccc4)[nH]3)c2)ccc2[nH]ccc12
InChIInChI=1S/C25H21N3O3/c29-15-20-19-11-12-26-21(19)9-10-23(20)31-18-8-4-7-17(13-18)25-27-14-22(28-25)24(30)16-5-2-1-3-6-16/h1-14,24,26,29-30H,15H2,(H,27,28)
InChIKeyJTPWTTMCFYSBJI-UHFFFAOYSA-N
XLogP4.92
TPSA94.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[3-[5-[hydroxy(phenyl)methyl]-1H-imidazol-2-yl]phenoxy]-1H-indole-4-carboxylate
CID 167504546
[2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol
CID 167504556
2-[3-[[3-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]pyrazol-1-yl]methyl]phenyl]acetic acid
CID 167505142
3-[3-[[2-[3-[(4,6-difluoro-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-(methylamino)methyl]phenyl]propanal;methanol
CID 167504828
2-[5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-indol-4-yl]acetic acid
CID 167504521
methyl 3-[3-[[3-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]pyrazol-1-yl]methyl]phenyl]prop-2-enoate
CID 167505478
methyl 3-[3-[2-[3-[[4-(hydroxyiminomethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazole-5-carbonyl]phenyl]propanoate
CID 167505733
1-[2-[3-[(4,6-difluoro-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-1-[3-(hydroxymethyl)phenyl]ethanol
CID 167505264
(2-phenyl-1H-imidazol-5-yl)methanediol
CID 70125752
6-fluoro-5-[3-[5-(1-hydroxy-1-phenylethyl)-1H-imidazol-2-yl]phenoxy]-1H-indole-4-carboxylic acid
CID 167504544
2-[5-[3-(5-benzyl-1H-1,2,4-triazol-3-yl)phenoxy]-1H-indol-4-yl]-N-(trifluoromethylsulfanyl)acetamide
CID 167504747
3-[3-[1-[2-[5-[(4,6-difluoro-1H-indol-5-yl)oxy]-2-fluorophenyl]-1H-imidazol-5-yl]ethyl]-2-fluorophenyl]-2-methylpropanoic acid
CID 167505706

Frequently Asked Questions

What is the IUPAC name of [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
The IUPAC name of [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol (CID 167504498) is [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol.
What is the SMILES notation for [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
The canonical SMILES for [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol is OCc1c(Oc2cccc(-c3ncc(C(O)c4ccccc4)[nH]3)c2)ccc2[nH]ccc12.
What is the InChIKey of [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
The InChIKey is JTPWTTMCFYSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-15-20-19-11-12-26-21(19)9-10-23(20)31-18-8-4-7-17(13-18)25-27-14-22(28-25)24(30)16-5-2-1-3-6-16/h1-14,24,26,29-30H,15H2,(H,27,28).
What are the key properties of [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
[2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol has a molecular weight of 411.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[[4-(hydroxymethyl)-1H-indol-5-yl]oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol is sourced from PubChem (CID 167504498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).