2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole

C13H22N4O3 — CID 175104809

IUPAC2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole
SMILESC=C(N1C=CN(C)C1)N1C=CN(C)C1.CC(O)C(=O)O
InChIInChI=1S/C10H16N4.C3H6O3/c1-10(13-6-4-11(2)8-13)14-7-5-12(3)9-14;1-2(4)3(5)6/h4-7H,1,8-9H2,2-3H3;2,4H,1H3,(H,5,6)
InChIKeyWYUZMBMILUUVNT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.26
Rot. Bonds3

About 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole

2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole (PubChem CID 175104809) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole.

Molecular Properties

Compound Name2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole
PubChem CID175104809
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole
SMILESC=C(N1C=CN(C)C1)N1C=CN(C)C1.CC(O)C(=O)O
InChIInChI=1S/C10H16N4.C3H6O3/c1-10(13-6-4-11(2)8-13)14-7-5-12(3)9-14;1-2(4)3(5)6/h4-7H,1,8-9H2,2-3H3;2,4H,1H3,(H,5,6)
InChIKeyWYUZMBMILUUVNT-UHFFFAOYSA-N
XLogP0.26
TPSA70.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2H-imidazole-1-carboxylic acid
CID 154232993
N,N,3-trimethyl-2H-imidazole-1-carboxamide
CID 3024502
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CID 171376624
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 174844241
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
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dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
acetic acid;1-ethenyl-3-methyl-2H-imidazole
CID 174673019
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole?
The IUPAC name of 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole (CID 175104809) is 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole.
What is the SMILES notation for 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole?
The canonical SMILES for 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole is C=C(N1C=CN(C)C1)N1C=CN(C)C1.CC(O)C(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole?
The InChIKey is WYUZMBMILUUVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.C3H6O3/c1-10(13-6-4-11(2)8-13)14-7-5-12(3)9-14;1-2(4)3(5)6/h4-7H,1,8-9H2,2-3H3;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole?
2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole has a molecular weight of 282.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole is sourced from PubChem (CID 175104809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).