3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid

C15H16N2O4 — CID 103551600

IUPAC3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)C1
InChIInChI=1S/C15H16N2O4/c18-15(19)9-2-1-8(5-9)14-16-10-6-12-13(7-11(10)17-14)21-4-3-20-12/h6-9H,1-5H2,(H,16,17)(H,18,19)
InChIKeyRXTSIMRNGPQIJR-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.30
Rot. Bonds2

About 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid

3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551600) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551600
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)C1
InChIInChI=1S/C15H16N2O4/c18-15(19)9-2-1-8(5-9)14-16-10-6-12-13(7-11(10)17-14)21-4-3-20-12/h6-9H,1-5H2,(H,16,17)(H,18,19)
InChIKeyRXTSIMRNGPQIJR-UHFFFAOYSA-N
XLogP2.30
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551644
2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55151063
3-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)cyclohexan-1-amine
CID 63044200
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 86637334
2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 66477298
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520286
1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
CID 83896303
2-(oxolan-2-yl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168748
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid (CID 103551600) is 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)C1.
What is the InChIKey of 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is RXTSIMRNGPQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-15(19)9-2-1-8(5-9)14-16-10-6-12-13(7-11(10)17-14)21-4-3-20-12/h6-9H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).