2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole

C9H12N4O2 — CID 174695765

IUPAC2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=C(O)Cn1ccnc1
InChIInChI=1S/C5H6N2O2.C4H6N2/c8-5(9)3-7-2-1-6-4-7;1-4-5-2-3-6-4/h1-2,4H,3H2,(H,8,9);2-3H,1H3,(H,5,6)
InChIKeyYXQYTTYKIRBPNI-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.69
Rot. Bonds2

About 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole

2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole (PubChem CID 174695765) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole.

Molecular Properties

Compound Name2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole
PubChem CID174695765
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=C(O)Cn1ccnc1
InChIInChI=1S/C5H6N2O2.C4H6N2/c8-5(9)3-7-2-1-6-4-7;1-4-5-2-3-6-4/h1-2,4H,3H2,(H,8,9);2-3H,1H3,(H,5,6)
InChIKeyYXQYTTYKIRBPNI-UHFFFAOYSA-N
XLogP0.69
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoacetic acid;2-methyl-1H-imidazole
CID 126510094
2-methyl-1H-imidazole;oxalic acid
CID 71442090
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
CID 13269102
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
acetyl acetate;2-methyl-1H-imidazole
CID 174834848
imidazol-1-ylmethylcarbamic acid
CID 175455215
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
azonous acid;tetrakis(2-methyl-1H-imidazole);nickel
CID 5255487
2-imidazol-1-yl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17410061
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole?
The IUPAC name of 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole (CID 174695765) is 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole.
What is the SMILES notation for 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole?
The canonical SMILES for 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole is Cc1ncc[nH]1.O=C(O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole?
The InChIKey is YXQYTTYKIRBPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C4H6N2/c8-5(9)3-7-2-1-6-4-7;1-4-5-2-3-6-4/h1-2,4H,3H2,(H,8,9);2-3H,1H3,(H,5,6).
What are the key properties of 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole?
2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole has a molecular weight of 208.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole is sourced from PubChem (CID 174695765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).