2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol

C21H22N2O5 — CID 56900365

IUPAC2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol
SMILESCOc1cc(Cn2ccnc2-c2cc3c(cc2OC)OCCCO3)ccc1O
InChIInChI=1S/C21H22N2O5/c1-25-17-12-20-19(27-8-3-9-28-20)11-15(17)21-22-6-7-23(21)13-14-4-5-16(24)18(10-14)26-2/h4-7,10-12,24H,3,8-9,13H2,1-2H3
InChIKeyMOAKZFLZWGOUSQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.48
Rot. Bonds5

About 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol

2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol (PubChem CID 56900365) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol
PubChem CID56900365
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol
SMILESCOc1cc(Cn2ccnc2-c2cc3c(cc2OC)OCCCO3)ccc1O
InChIInChI=1S/C21H22N2O5/c1-25-17-12-20-19(27-8-3-9-28-20)11-15(17)21-22-6-7-23(21)13-14-4-5-16(24)18(10-14)26-2/h4-7,10-12,24H,3,8-9,13H2,1-2H3
InChIKeyMOAKZFLZWGOUSQ-UHFFFAOYSA-N
XLogP3.48
TPSA74.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol with MolForge

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazole
CID 46980530
4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-methoxyphenol
CID 117219975
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine
CID 154568884
[4-[[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
CID 146038906
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one
CID 155498446
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol (CID 56900365) is 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol is COc1cc(Cn2ccnc2-c2cc3c(cc2OC)OCCCO3)ccc1O.
What is the InChIKey of 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol?
The InChIKey is MOAKZFLZWGOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-17-12-20-19(27-8-3-9-28-20)11-15(17)21-22-6-7-23(21)13-14-4-5-16(24)18(10-14)26-2/h4-7,10-12,24H,3,8-9,13H2,1-2H3.
What are the key properties of 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol?
2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol has a molecular weight of 382.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 56900365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).