acetic acid;5-methyl-1H-imidazole

C6H10N2O2 — CID 21388918

IUPACacetic acid;5-methyl-1H-imidazole
SMILESCC(=O)O.Cc1cnc[nH]1
InChIInChI=1S/C4H6N2.C2H4O2/c1-4-2-5-3-6-4;1-2(3)4/h2-3H,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyHASRBXFTCLLAES-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.81
Rot. Bonds

About acetic acid;5-methyl-1H-imidazole

acetic acid;5-methyl-1H-imidazole (PubChem CID 21388918) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is acetic acid;5-methyl-1H-imidazole.

Molecular Properties

Compound Nameacetic acid;5-methyl-1H-imidazole
PubChem CID21388918
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameacetic acid;5-methyl-1H-imidazole
SMILESCC(=O)O.Cc1cnc[nH]1
InChIInChI=1S/C4H6N2.C2H4O2/c1-4-2-5-3-6-4;1-2(3)4/h2-3H,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyHASRBXFTCLLAES-UHFFFAOYSA-N
XLogP0.81
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylimidazole
CID 13195
2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
2-Iodo-4-methyl-1H-imidazole
CID 322560
5-methyl-1H-imidazol-2-amine
CID 322559
N-(4-Methyl-1H-imidazol-2-yl)-acetamide
CID 566330
4(5)-(Methyl-d3)imidazole; 5-(Methyl-d3)-1H-imidazole
CID 71750394
1-(4-Methyl-1H-imidazol-2-yl)ethanone
CID 565883
Imidazole acetate
CID 18411416
Imidazole, 4-acetoxyethyl-
CID 129927816
2-chloro-5-methyl-1H-imidazole
CID 313195
(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-methyl-1H-imidazole?
The IUPAC name of acetic acid;5-methyl-1H-imidazole (CID 21388918) is acetic acid;5-methyl-1H-imidazole.
What is the SMILES notation for acetic acid;5-methyl-1H-imidazole?
The canonical SMILES for acetic acid;5-methyl-1H-imidazole is CC(=O)O.Cc1cnc[nH]1.
What is the InChIKey of acetic acid;5-methyl-1H-imidazole?
The InChIKey is HASRBXFTCLLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H4O2/c1-4-2-5-3-6-4;1-2(3)4/h2-3H,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;5-methyl-1H-imidazole?
acetic acid;5-methyl-1H-imidazole has a molecular weight of 142.16 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-methyl-1H-imidazole is sourced from PubChem (CID 21388918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).