methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate

C18H19N3O5 — CID 70319457

IUPACmethyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(Oc2cccc3c2nc(N)n3C)c(OC)c1
InChIInChI=1S/C18H19N3O5/c1-21-11-6-5-7-12(15(11)20-18(21)19)26-16-13(23-2)8-10(17(22)25-4)9-14(16)24-3/h5-9H,1-4H3,(H2,19,20)
InChIKeyFNBVGRIJBPADHD-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.75
Rot. Bonds5

About methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate

methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate (PubChem CID 70319457) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate
PubChem CID70319457
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Namemethyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(Oc2cccc3c2nc(N)n3C)c(OC)c1
InChIInChI=1S/C18H19N3O5/c1-21-11-6-5-7-12(15(11)20-18(21)19)26-16-13(23-2)8-10(17(22)25-4)9-14(16)24-3/h5-9H,1-4H3,(H2,19,20)
InChIKeyFNBVGRIJBPADHD-UHFFFAOYSA-N
XLogP2.75
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
(11E)-11-[2-(4,6-dimethoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10456019
11-[2-(5,7-Dimethoxy-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 11744063
3-[[1-Methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
CID 25115507
3-(4-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy)benzamido)propanoic acid
CID 44591126
3-(7-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy)-1-oxo-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)propanoic acid
CID 44591155
3-[[6-(2,3-Dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46213107
3-[[6-(3-Methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
4-{[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid dihydrochloride
CID 68661690
3-({1-Methyl-6-[3-(trifluoromethoxy)phenoxy]-1H-benzimidazol-2-yl}methoxy]benzoic acid
CID 68661793
Methyl 2-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4897080
3-[[6-(2-Methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid;hydrochloride
CID 145955315

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate?
The IUPAC name of methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate (CID 70319457) is methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(Oc2cccc3c2nc(N)n3C)c(OC)c1.
What is the InChIKey of methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate?
The InChIKey is FNBVGRIJBPADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-21-11-6-5-7-12(15(11)20-18(21)19)26-16-13(23-2)8-10(17(22)25-4)9-14(16)24-3/h5-9H,1-4H3,(H2,19,20).
What are the key properties of methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate?
methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate has a molecular weight of 357.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate is sourced from PubChem (CID 70319457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).