1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole

C25H42N2 — CID 123306532

IUPAC1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole
SMILESCC1CC2CC(C1)CC(C)(N1C=CN(C3(C)CC4CC(C)CC(C4)C3)C1)C2
InChIInChI=1S/C25H42N2/c1-18-7-20-11-21(8-18)14-24(3,13-20)26-5-6-27(17-26)25(4)15-22-9-19(2)10-23(12-22)16-25/h5-6,18-23H,7-17H2,1-4H3
InChIKeyOZLZDAZYDQYQKQ-UHFFFAOYSA-N
MW370.62 g/mol
LogP6.24
Rot. Bonds2

About 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole

1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole (PubChem CID 123306532) has the molecular formula C25H42N2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole
PubChem CID123306532
Molecular FormulaC25H42N2
Molecular Weight370.62 g/mol
Exact Mass370.33
IUPAC Name1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole
SMILESCC1CC2CC(C1)CC(C)(N1C=CN(C3(C)CC4CC(C)CC(C4)C3)C1)C2
InChIInChI=1S/C25H42N2/c1-18-7-20-11-21(8-18)14-24(3,13-20)26-5-6-27(17-26)25(4)15-22-9-19(2)10-23(12-22)16-25/h5-6,18-23H,7-17H2,1-4H3
InChIKeyOZLZDAZYDQYQKQ-UHFFFAOYSA-N
XLogP6.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane
CID 142150473
N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide
CID 135280886
[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea
CID 145237634
adamantane;1-methyladamantane
CID 53425859
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole
CID 130280296
1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate
CID 138626102
2,4-bis(1-adamantyl)-6-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)benzenethiol
CID 146580318
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine
CID 123905764
3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione
CID 134225162
2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine
CID 146184648

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole?
The IUPAC name of 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole (CID 123306532) is 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole is CC1CC2CC(C1)CC(C)(N1C=CN(C3(C)CC4CC(C)CC(C4)C3)C1)C2.
What is the InChIKey of 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole?
The InChIKey is OZLZDAZYDQYQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-18-7-20-11-21(8-18)14-24(3,13-20)26-5-6-27(17-26)25(4)15-22-9-19(2)10-23(12-22)16-25/h5-6,18-23H,7-17H2,1-4H3.
What are the key properties of 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole?
1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole has a molecular weight of 370.62 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole is sourced from PubChem (CID 123306532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).