4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid

C24H26N2O4 — CID 162650008

IUPAC4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
SMILESCn1c(Cc2ccc3c(c2)OCC3)nc2cc(OC3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C24H26N2O4/c1-26-21-9-8-19(30-18-6-4-17(5-7-18)24(27)28)14-20(21)25-23(26)13-15-2-3-16-10-11-29-22(16)12-15/h2-3,8-9,12,14,17-18H,4-7,10-11,13H2,1H3,(H,27,28)
InChIKeyPOCNCTWOZHORBI-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.12
Rot. Bonds5

About 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid

4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid (PubChem CID 162650008) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
PubChem CID162650008
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
SMILESCn1c(Cc2ccc3c(c2)OCC3)nc2cc(OC3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C24H26N2O4/c1-26-21-9-8-19(30-18-6-4-17(5-7-18)24(27)28)14-20(21)25-23(26)13-15-2-3-16-10-11-29-22(16)12-15/h2-3,8-9,12,14,17-18H,4-7,10-11,13H2,1H3,(H,27,28)
InChIKeyPOCNCTWOZHORBI-UHFFFAOYSA-N
XLogP4.12
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552744
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-(3-phenoxy-phenyl)-acetic acid
CID 44348153
(11E)-11-[2-(6-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10024655
(11E)-11-[2-(5-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10454345
11-[2-(5,6-Dimethoxy-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 11744062
3-[[6-(2,5-Difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 25115277
3-[[6-(3-Fluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 25115278
3-[[1-Methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
CID 25115507
3-[[6-(2,3-Dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46213107
3-[[6-[(5,6-Dimethyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46908814
3-[[6-(4-Methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661324
3-[[6-(3-Methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid (CID 162650008) is 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid is Cn1c(Cc2ccc3c(c2)OCC3)nc2cc(OC3CCC(C(=O)O)CC3)ccc21.
What is the InChIKey of 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The InChIKey is POCNCTWOZHORBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-26-21-9-8-19(30-18-6-4-17(5-7-18)24(27)28)14-20(21)25-23(26)13-15-2-3-16-10-11-29-22(16)12-15/h2-3,8-9,12,14,17-18H,4-7,10-11,13H2,1H3,(H,27,28).
What are the key properties of 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid has a molecular weight of 406.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1-benzofuran-6-ylmethyl)-1-methylbenzimidazol-5-yl]oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 162650008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).