1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine

C14H19ClN2O — CID 150068506

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine
SMILESCC1(CN2CCN(Cc3ccc(Cl)cc3)C2)CO1
InChIInChI=1S/C14H19ClN2O/c1-14(10-18-14)9-17-7-6-16(11-17)8-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3
InChIKeyDOUAIRSSPCLNRH-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.20
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine

1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine (PubChem CID 150068506) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine
PubChem CID150068506
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine
SMILESCC1(CN2CCN(Cc3ccc(Cl)cc3)C2)CO1
InChIInChI=1S/C14H19ClN2O/c1-14(10-18-14)9-17-7-6-16(11-17)8-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3
InChIKeyDOUAIRSSPCLNRH-UHFFFAOYSA-N
XLogP2.20
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325548
2-[(4-chlorophenyl)methylsulfanylmethyl]-2-methyloxirane
CID 114790539
3-[(4-chlorophenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexane
CID 87480861
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
CID 87852584
4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 82298989
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine (CID 150068506) is 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine is CC1(CN2CCN(Cc3ccc(Cl)cc3)C2)CO1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine?
The InChIKey is DOUAIRSSPCLNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(10-18-14)9-17-7-6-16(11-17)8-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine?
1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine has a molecular weight of 266.77 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine is sourced from PubChem (CID 150068506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).