2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid

C16H20N2O3 — CID 81329752

IUPAC2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(C3CCC(C)O3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C16H20N2O3/c1-9-6-12-13(7-10(9)2)18(8-15(19)20)16(17-12)14-5-4-11(3)21-14/h6-7,11,14H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyFDKNBXAZRLYZDA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.98
Rot. Bonds3

About 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid

2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid (PubChem CID 81329752) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid
PubChem CID81329752
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(C3CCC(C)O3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C16H20N2O3/c1-9-6-12-13(7-10(9)2)18(8-15(19)20)16(17-12)14-5-4-11(3)21-14/h6-7,11,14H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyFDKNBXAZRLYZDA-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid (CID 81329752) is 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid is Cc1cc2nc(C3CCC(C)O3)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is FDKNBXAZRLYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9-6-12-13(7-10(9)2)18(8-15(19)20)16(17-12)14-5-4-11(3)21-14/h6-7,11,14H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid?
2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(5-methyloxolan-2-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 81329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).