1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine

C19H38N4 — CID 69468960

IUPAC1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
SMILESC[C@H]1CCCN1CCCN1CCN(CCCN2CCC[C@@H]2C)C1
InChIInChI=1S/C19H38N4/c1-18-7-3-11-22(18)13-5-9-20-15-16-21(17-20)10-6-14-23-12-4-8-19(23)2/h18-19H,3-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyWSRXLMSGSLHOFI-OALUTQOASA-N
MW322.54 g/mol
LogP2.31
Rot. Bonds8

About 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine

1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine (PubChem CID 69468960) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
PubChem CID69468960
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
SMILESC[C@H]1CCCN1CCCN1CCN(CCCN2CCC[C@@H]2C)C1
InChIInChI=1S/C19H38N4/c1-18-7-3-11-22(18)13-5-9-20-15-16-21(17-20)10-6-14-23-12-4-8-19(23)2/h18-19H,3-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyWSRXLMSGSLHOFI-OALUTQOASA-N
XLogP2.31
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[3-[3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]piperazine
CID 69465572
2-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl methanesulfonate
CID 87846097
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
9-(2-methylpyrrolidin-1-yl)nonane-1-thiol
CID 105343993
1-(5-chloropentyl)-2-methylpyrrolidine
CID 61288938
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
2-methyl-1-pentylazepane
CID 134994557
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine?
The IUPAC name of 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine (CID 69468960) is 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine.
What is the SMILES notation for 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine?
The canonical SMILES for 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine is C[C@H]1CCCN1CCCN1CCN(CCCN2CCC[C@@H]2C)C1.
What is the InChIKey of 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine?
The InChIKey is WSRXLMSGSLHOFI-OALUTQOASA-N. The full InChI is InChI=1S/C19H38N4/c1-18-7-3-11-22(18)13-5-9-20-15-16-21(17-20)10-6-14-23-12-4-8-19(23)2/h18-19H,3-17H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine?
1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine has a molecular weight of 322.54 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine is sourced from PubChem (CID 69468960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).