4,5-dihydro-1H-imidazole;hydrate

C3H8N2O — CID 22101892

IUPAC4,5-dihydro-1H-imidazole;hydrate
SMILESC1=NCCN1.O
InChIInChI=1S/C3H6N2.H2O/c1-2-5-3-4-1;/h3H,1-2H2,(H,4,5);1H2
InChIKeyFBMWYZZRSWZLDZ-UHFFFAOYSA-N
MW88.11 g/mol
LogP-1.21
Rot. Bonds

About 4,5-dihydro-1H-imidazole;hydrate

4,5-dihydro-1H-imidazole;hydrate (PubChem CID 22101892) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;hydrate.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;hydrate
PubChem CID22101892
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name4,5-dihydro-1H-imidazole;hydrate
SMILESC1=NCCN1.O
InChIInChI=1S/C3H6N2.H2O/c1-2-5-3-4-1;/h3H,1-2H2,(H,4,5);1H2
InChIKeyFBMWYZZRSWZLDZ-UHFFFAOYSA-N
XLogP-1.21
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;hydrate?
The IUPAC name of 4,5-dihydro-1H-imidazole;hydrate (CID 22101892) is 4,5-dihydro-1H-imidazole;hydrate.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;hydrate?
The canonical SMILES for 4,5-dihydro-1H-imidazole;hydrate is C1=NCCN1.O.
What is the InChIKey of 4,5-dihydro-1H-imidazole;hydrate?
The InChIKey is FBMWYZZRSWZLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.H2O/c1-2-5-3-4-1;/h3H,1-2H2,(H,4,5);1H2.
What are the key properties of 4,5-dihydro-1H-imidazole;hydrate?
4,5-dihydro-1H-imidazole;hydrate has a molecular weight of 88.11 g/mol, XLogP of -1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;hydrate is sourced from PubChem (CID 22101892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).