chloromethylbenzene;imidazolidine

C10H15ClN2 — CID 174595514

IUPACchloromethylbenzene;imidazolidine
SMILESC1CNCN1.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.C3H8N2/c8-6-7-4-2-1-3-5-7;1-2-5-3-4-1/h1-5H,6H2;4-5H,1-3H2
InChIKeyYYAWNNHDUIVVTF-UHFFFAOYSA-N
MW198.70 g/mol
LogP1.56
Rot. Bonds1

About chloromethylbenzene;imidazolidine

chloromethylbenzene;imidazolidine (PubChem CID 174595514) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is chloromethylbenzene;imidazolidine.

Molecular Properties

Compound Namechloromethylbenzene;imidazolidine
PubChem CID174595514
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Namechloromethylbenzene;imidazolidine
SMILESC1CNCN1.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.C3H8N2/c8-6-7-4-2-1-3-5-7;1-2-5-3-4-1/h1-5H,6H2;4-5H,1-3H2
InChIKeyYYAWNNHDUIVVTF-UHFFFAOYSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 51.56
H-Bond Donors ≤ 52
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;imidazolidine?
The IUPAC name of chloromethylbenzene;imidazolidine (CID 174595514) is chloromethylbenzene;imidazolidine.
What is the SMILES notation for chloromethylbenzene;imidazolidine?
The canonical SMILES for chloromethylbenzene;imidazolidine is C1CNCN1.ClCc1ccccc1.
What is the InChIKey of chloromethylbenzene;imidazolidine?
The InChIKey is YYAWNNHDUIVVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C3H8N2/c8-6-7-4-2-1-3-5-7;1-2-5-3-4-1/h1-5H,6H2;4-5H,1-3H2.
What are the key properties of chloromethylbenzene;imidazolidine?
chloromethylbenzene;imidazolidine has a molecular weight of 198.70 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;imidazolidine is sourced from PubChem (CID 174595514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).