1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine

C20H31ClN4 — CID 70025252

IUPAC1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine
SMILESCCC(C)=C(C(c1ccccc1)N1CCNC1)C(C)(Cl)N1CCNC1
InChIInChI=1S/C20H31ClN4/c1-4-16(2)18(20(3,21)25-13-11-23-15-25)19(24-12-10-22-14-24)17-8-6-5-7-9-17/h5-9,19,22-23H,4,10-15H2,1-3H3
InChIKeyFVZCFQLRYZONOE-UHFFFAOYSA-N
MW362.95 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine

1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine (PubChem CID 70025252) has the molecular formula C20H31ClN4 and a molecular weight of 362.95 g/mol. Its IUPAC name is 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine.

Molecular Properties

Compound Name1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine
PubChem CID70025252
Molecular FormulaC20H31ClN4
Molecular Weight362.95 g/mol
Exact Mass362.22
IUPAC Name1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine
SMILESCCC(C)=C(C(c1ccccc1)N1CCNC1)C(C)(Cl)N1CCNC1
InChIInChI=1S/C20H31ClN4/c1-4-16(2)18(20(3,21)25-13-11-23-15-25)19(24-12-10-22-14-24)17-8-6-5-7-9-17/h5-9,19,22-23H,4,10-15H2,1-3H3
InChIKeyFVZCFQLRYZONOE-UHFFFAOYSA-N
XLogP3.13
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-4-methyl-3-[phenyl(pyrrolidin-1-yl)methyl]hex-3-en-2-yl]morpholine
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1-(2-phenylsulfanylpropan-2-yl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine?
The IUPAC name of 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine (CID 70025252) is 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine.
What is the SMILES notation for 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine?
The canonical SMILES for 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine is CCC(C)=C(C(c1ccccc1)N1CCNC1)C(C)(Cl)N1CCNC1.
What is the InChIKey of 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine?
The InChIKey is FVZCFQLRYZONOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4/c1-4-16(2)18(20(3,21)25-13-11-23-15-25)19(24-12-10-22-14-24)17-8-6-5-7-9-17/h5-9,19,22-23H,4,10-15H2,1-3H3.
What are the key properties of 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine?
1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine has a molecular weight of 362.95 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-chloro-1-imidazolidin-1-ylethyl)-3-methyl-1-phenylpent-2-enyl]imidazolidine is sourced from PubChem (CID 70025252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).