1,3-bis(1-adamantyl)imidazolidine;hydrochloride

C23H37ClN2 — CID 131637532

IUPAC1,3-bis(1-adamantyl)imidazolidine;hydrochloride
SMILESC1C2CC3CC1CC(N1CCN(C45CC6CC(CC(C6)C4)C5)C1)(C2)C3.Cl
InChIInChI=1S/C23H36N2.ClH/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;/h16-21H,1-15H2;1H
InChIKeyJTBOBRXTBCQEDC-UHFFFAOYSA-N
MW377.02 g/mol
LogP4.92
Rot. Bonds2

About 1,3-bis(1-adamantyl)imidazolidine;hydrochloride

1,3-bis(1-adamantyl)imidazolidine;hydrochloride (PubChem CID 131637532) has the molecular formula C23H37ClN2 and a molecular weight of 377.02 g/mol. Its IUPAC name is 1,3-bis(1-adamantyl)imidazolidine;hydrochloride.

Molecular Properties

Compound Name1,3-bis(1-adamantyl)imidazolidine;hydrochloride
PubChem CID131637532
Molecular FormulaC23H37ClN2
Molecular Weight377.02 g/mol
Exact Mass376.26
IUPAC Name1,3-bis(1-adamantyl)imidazolidine;hydrochloride
SMILESC1C2CC3CC1CC(N1CCN(C45CC6CC(CC(C6)C4)C5)C1)(C2)C3.Cl
InChIInChI=1S/C23H36N2.ClH/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;/h16-21H,1-15H2;1H
InChIKeyJTBOBRXTBCQEDC-UHFFFAOYSA-N
XLogP4.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.02
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-bis(1-adamantyl)imidazolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride
CID 134128984
3,7-bis(1-adamantyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 134818054
1-(1-tricyclo[3.3.1.03,7]nonanyl)piperazine
CID 54299292
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 163331836
3,7-bis(1-adamantyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 134818073
1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine
CID 167333339
1-(1-adamantyl)-3-cyclopropyl-1,4-diazepane
CID 64941689
1-(1-adamantyl)-4,5-dihydroimidazol-2-olate
CID 155607991
1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 4264866
Adamantylsilicone
CID 18798576
1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 70755285
4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70728771

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-adamantyl)imidazolidine;hydrochloride?
The IUPAC name of 1,3-bis(1-adamantyl)imidazolidine;hydrochloride (CID 131637532) is 1,3-bis(1-adamantyl)imidazolidine;hydrochloride.
What is the SMILES notation for 1,3-bis(1-adamantyl)imidazolidine;hydrochloride?
The canonical SMILES for 1,3-bis(1-adamantyl)imidazolidine;hydrochloride is C1C2CC3CC1CC(N1CCN(C45CC6CC(CC(C6)C4)C5)C1)(C2)C3.Cl.
What is the InChIKey of 1,3-bis(1-adamantyl)imidazolidine;hydrochloride?
The InChIKey is JTBOBRXTBCQEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2.ClH/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;/h16-21H,1-15H2;1H.
What are the key properties of 1,3-bis(1-adamantyl)imidazolidine;hydrochloride?
1,3-bis(1-adamantyl)imidazolidine;hydrochloride has a molecular weight of 377.02 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-adamantyl)imidazolidine;hydrochloride is sourced from PubChem (CID 131637532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).