carbonic acid;4,5-dihydro-1H-imidazole

C4H8N2O3 — CID 23171612

IUPACcarbonic acid;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.O=C(O)O
InChIInChI=1S/C3H6N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2,(H,4,5);(H2,2,3,4)
InChIKeyZMNLPMAXPSVHJX-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.16
Rot. Bonds

About carbonic acid;4,5-dihydro-1H-imidazole

carbonic acid;4,5-dihydro-1H-imidazole (PubChem CID 23171612) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is carbonic acid;4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Namecarbonic acid;4,5-dihydro-1H-imidazole
PubChem CID23171612
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Namecarbonic acid;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.O=C(O)O
InChIInChI=1S/C3H6N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2,(H,4,5);(H2,2,3,4)
InChIKeyZMNLPMAXPSVHJX-UHFFFAOYSA-N
XLogP-0.16
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;4,5-dihydro-1H-imidazole?
The IUPAC name of carbonic acid;4,5-dihydro-1H-imidazole (CID 23171612) is carbonic acid;4,5-dihydro-1H-imidazole.
What is the SMILES notation for carbonic acid;4,5-dihydro-1H-imidazole?
The canonical SMILES for carbonic acid;4,5-dihydro-1H-imidazole is C1=NCCN1.O=C(O)O.
What is the InChIKey of carbonic acid;4,5-dihydro-1H-imidazole?
The InChIKey is ZMNLPMAXPSVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2,(H,4,5);(H2,2,3,4).
What are the key properties of carbonic acid;4,5-dihydro-1H-imidazole?
carbonic acid;4,5-dihydro-1H-imidazole has a molecular weight of 132.12 g/mol, XLogP of -0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23171612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).