chloromethylbenzene;1,4-dihydroimidazol-5-one

C10H11ClN2O — CID 174934077

IUPACchloromethylbenzene;1,4-dihydroimidazol-5-one
SMILESClCc1ccccc1.O=C1CN=CN1
InChIInChI=1S/C7H7Cl.C3H4N2O/c8-6-7-4-2-1-3-5-7;6-3-1-4-2-5-3/h1-5H,6H2;2H,1H2,(H,4,5,6)
InChIKeyZVWMWRSDBZKNKF-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.57
Rot. Bonds1

About chloromethylbenzene;1,4-dihydroimidazol-5-one

chloromethylbenzene;1,4-dihydroimidazol-5-one (PubChem CID 174934077) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is chloromethylbenzene;1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Namechloromethylbenzene;1,4-dihydroimidazol-5-one
PubChem CID174934077
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Namechloromethylbenzene;1,4-dihydroimidazol-5-one
SMILESClCc1ccccc1.O=C1CN=CN1
InChIInChI=1S/C7H7Cl.C3H4N2O/c8-6-7-4-2-1-3-5-7;6-3-1-4-2-5-3/h1-5H,6H2;2H,1H2,(H,4,5,6)
InChIKeyZVWMWRSDBZKNKF-UHFFFAOYSA-N
XLogP1.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;1,4-dihydroimidazol-5-one?
The IUPAC name of chloromethylbenzene;1,4-dihydroimidazol-5-one (CID 174934077) is chloromethylbenzene;1,4-dihydroimidazol-5-one.
What is the SMILES notation for chloromethylbenzene;1,4-dihydroimidazol-5-one?
The canonical SMILES for chloromethylbenzene;1,4-dihydroimidazol-5-one is ClCc1ccccc1.O=C1CN=CN1.
What is the InChIKey of chloromethylbenzene;1,4-dihydroimidazol-5-one?
The InChIKey is ZVWMWRSDBZKNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C3H4N2O/c8-6-7-4-2-1-3-5-7;6-3-1-4-2-5-3/h1-5H,6H2;2H,1H2,(H,4,5,6).
What are the key properties of chloromethylbenzene;1,4-dihydroimidazol-5-one?
chloromethylbenzene;1,4-dihydroimidazol-5-one has a molecular weight of 210.66 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;1,4-dihydroimidazol-5-one is sourced from PubChem (CID 174934077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).