2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid

C9H14N2O2 — CID 105440018

IUPAC2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid
SMILESCCc1nc(CC(=O)O)[nH]c1CC
InChIInChI=1S/C9H14N2O2/c1-3-6-7(4-2)11-8(10-6)5-9(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFHBHEUBTQZUUOY-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.16
Rot. Bonds4

About 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid

2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid (PubChem CID 105440018) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid
PubChem CID105440018
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid
SMILESCCc1nc(CC(=O)O)[nH]c1CC
InChIInChI=1S/C9H14N2O2/c1-3-6-7(4-2)11-8(10-6)5-9(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFHBHEUBTQZUUOY-UHFFFAOYSA-N
XLogP1.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid?
The IUPAC name of 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid (CID 105440018) is 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid?
The canonical SMILES for 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid is CCc1nc(CC(=O)O)[nH]c1CC.
What is the InChIKey of 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid?
The InChIKey is FHBHEUBTQZUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-6-7(4-2)11-8(10-6)5-9(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid?
2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid is sourced from PubChem (CID 105440018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).