carbonic acid;1H-imidazole

C4H6N2O3 — CID 22179112

IUPACcarbonic acid;1H-imidazole
SMILESO=C(O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H2,2,3,4)
InChIKeyGYTMUNSNMBRSEW-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.63
Rot. Bonds

About carbonic acid;1H-imidazole

carbonic acid;1H-imidazole (PubChem CID 22179112) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is carbonic acid;1H-imidazole.

Molecular Properties

Compound Namecarbonic acid;1H-imidazole
PubChem CID22179112
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Namecarbonic acid;1H-imidazole
SMILESO=C(O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H2,2,3,4)
InChIKeyGYTMUNSNMBRSEW-UHFFFAOYSA-N
XLogP0.63
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1H-imidazole?
The IUPAC name of carbonic acid;1H-imidazole (CID 22179112) is carbonic acid;1H-imidazole.
What is the SMILES notation for carbonic acid;1H-imidazole?
The canonical SMILES for carbonic acid;1H-imidazole is O=C(O)O.c1c[nH]cn1.
What is the InChIKey of carbonic acid;1H-imidazole?
The InChIKey is GYTMUNSNMBRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H2,2,3,4).
What are the key properties of carbonic acid;1H-imidazole?
carbonic acid;1H-imidazole has a molecular weight of 130.10 g/mol, XLogP of 0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1H-imidazole is sourced from PubChem (CID 22179112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).