2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol

C30H29N3O4 — CID 146503032

IUPAC2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol
SMILESCOc1ccc(C(OCc2nc3cnccc3n2CCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H29N3O4/c1-35-25-12-8-23(9-13-25)30(22-6-4-3-5-7-22,24-10-14-26(36-2)15-11-24)37-21-29-32-27-20-31-17-16-28(27)33(29)18-19-34/h3-17,20,34H,18-19,21H2,1-2H3
InChIKeyDWOLFIZIEHIRAF-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.95
Rot. Bonds10

About 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol

2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol (PubChem CID 146503032) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol
PubChem CID146503032
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol
SMILESCOc1ccc(C(OCc2nc3cnccc3n2CCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H29N3O4/c1-35-25-12-8-23(9-13-25)30(22-6-4-3-5-7-22,24-10-14-26(36-2)15-11-24)37-21-29-32-27-20-31-17-16-28(27)33(29)18-19-34/h3-17,20,34H,18-19,21H2,1-2H3
InChIKeyDWOLFIZIEHIRAF-UHFFFAOYSA-N
XLogP4.95
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol with MolForge

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Related Compounds

(2S)-2-[8-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]purin-9-yl]propan-1-ol
CID 146503038
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
CID 11408463
2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
CID 142497056
[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol
CID 68665796
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-oxocyclopropane-1-carboxylic acid
CID 91050449
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol?
The IUPAC name of 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol (CID 146503032) is 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol?
The canonical SMILES for 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol is COc1ccc(C(OCc2nc3cnccc3n2CCO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol?
The InChIKey is DWOLFIZIEHIRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-35-25-12-8-23(9-13-25)30(22-6-4-3-5-7-22,24-10-14-26(36-2)15-11-24)37-21-29-32-27-20-31-17-16-28(27)33(29)18-19-34/h3-17,20,34H,18-19,21H2,1-2H3.
What are the key properties of 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol?
2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol has a molecular weight of 495.58 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]imidazo[4,5-c]pyridin-1-yl]ethanol is sourced from PubChem (CID 146503032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).