carbonic acid;1-methyl-4,5-dihydroimidazole

C5H10N2O3 — CID 67635471

IUPACcarbonic acid;1-methyl-4,5-dihydroimidazole
SMILESCN1C=NCC1.O=C(O)O
InChIInChI=1S/C4H8N2.CH2O3/c1-6-3-2-5-4-6;2-1(3)4/h4H,2-3H2,1H3;(H2,2,3,4)
InChIKeyKZJXBUPMYXECFR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.18
Rot. Bonds

About carbonic acid;1-methyl-4,5-dihydroimidazole

carbonic acid;1-methyl-4,5-dihydroimidazole (PubChem CID 67635471) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is carbonic acid;1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Namecarbonic acid;1-methyl-4,5-dihydroimidazole
PubChem CID67635471
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Namecarbonic acid;1-methyl-4,5-dihydroimidazole
SMILESCN1C=NCC1.O=C(O)O
InChIInChI=1S/C4H8N2.CH2O3/c1-6-3-2-5-4-6;2-1(3)4/h4H,2-3H2,1H3;(H2,2,3,4)
InChIKeyKZJXBUPMYXECFR-UHFFFAOYSA-N
XLogP0.18
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-methyl-4,5-dihydroimidazole?
The IUPAC name of carbonic acid;1-methyl-4,5-dihydroimidazole (CID 67635471) is carbonic acid;1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for carbonic acid;1-methyl-4,5-dihydroimidazole?
The canonical SMILES for carbonic acid;1-methyl-4,5-dihydroimidazole is CN1C=NCC1.O=C(O)O.
What is the InChIKey of carbonic acid;1-methyl-4,5-dihydroimidazole?
The InChIKey is KZJXBUPMYXECFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.CH2O3/c1-6-3-2-5-4-6;2-1(3)4/h4H,2-3H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-methyl-4,5-dihydroimidazole?
carbonic acid;1-methyl-4,5-dihydroimidazole has a molecular weight of 146.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 67635471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).