4-(aminomethyl)-1,3-dihydroimidazol-2-one

C4H7N3O — CID 55288734

IUPAC4-(aminomethyl)-1,3-dihydroimidazol-2-one
SMILESNCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3O/c5-1-3-2-6-4(8)7-3/h2H,1,5H2,(H2,6,7,8)
InChIKeyDTNBMPQTOPIUQI-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.84
Rot. Bonds1

About 4-(aminomethyl)-1,3-dihydroimidazol-2-one

4-(aminomethyl)-1,3-dihydroimidazol-2-one (PubChem CID 55288734) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-(aminomethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1,3-dihydroimidazol-2-one
PubChem CID55288734
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4-(aminomethyl)-1,3-dihydroimidazol-2-one
SMILESNCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3O/c5-1-3-2-6-4(8)7-3/h2H,1,5H2,(H2,6,7,8)
InChIKeyDTNBMPQTOPIUQI-UHFFFAOYSA-N
XLogP-0.84
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(aminomethyl)-1,3-dihydroimidazol-2-one (CID 55288734) is 4-(aminomethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(aminomethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(aminomethyl)-1,3-dihydroimidazol-2-one is NCc1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(aminomethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is DTNBMPQTOPIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-1-3-2-6-4(8)7-3/h2H,1,5H2,(H2,6,7,8).
What are the key properties of 4-(aminomethyl)-1,3-dihydroimidazol-2-one?
4-(aminomethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 113.12 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 55288734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).