2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride

C6H9ClN2O2 — CID 67010725

IUPAC2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
SMILESCc1ncc(CC(=O)O)[nH]1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-4-7-3-5(8-4)2-6(9)10;/h3H,2H2,1H3,(H,7,8)(H,9,10);1H
InChIKeyVPHDJPNUDFVHIE-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.77
Rot. Bonds2

About 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride

2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride (PubChem CID 67010725) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
PubChem CID67010725
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
SMILESCc1ncc(CC(=O)O)[nH]1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-4-7-3-5(8-4)2-6(9)10;/h3H,2H2,1H3,(H,7,8)(H,9,10);1H
InChIKeyVPHDJPNUDFVHIE-UHFFFAOYSA-N
XLogP0.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride (CID 67010725) is 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride is Cc1ncc(CC(=O)O)[nH]1.Cl.
What is the InChIKey of 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride?
The InChIKey is VPHDJPNUDFVHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c1-4-7-3-5(8-4)2-6(9)10;/h3H,2H2,1H3,(H,7,8)(H,9,10);1H.
What are the key properties of 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride?
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride is sourced from PubChem (CID 67010725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).