1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole

C9H12N2 — CID 126638711

IUPAC1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole
SMILESc1cn(C2C[C@@H]3C[C@@H]3C2)cn1
InChIInChI=1S/C9H12N2/c1-2-11(6-10-1)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2/t7-,8+,9?
InChIKeyXPLJQLXJLMQFBT-JVHMLUBASA-N
MW148.21 g/mol
LogP1.85
Rot. Bonds1

About 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole

1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole (PubChem CID 126638711) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole.

Molecular Properties

Compound Name1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole
PubChem CID126638711
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole
SMILESc1cn(C2C[C@@H]3C[C@@H]3C2)cn1
InChIInChI=1S/C9H12N2/c1-2-11(6-10-1)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2/t7-,8+,9?
InChIKeyXPLJQLXJLMQFBT-JVHMLUBASA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131068227
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CID 62808161
1-cyclopentylimidazole;ethane;methanol
CID 144877752
ethane;4-imidazol-1-ylpiperidine
CID 143122198
1-(oxolan-3-yl)imidazole
CID 63810500
1-(4-ethylcyclohexyl)imidazole
CID 64776117
1-[(3R)-3-methoxycyclohexyl]imidazole
CID 175222056
4-imidazol-1-ylpiperidine-1-carbaldehyde
CID 56980966
N-[(3-imidazol-1-ylcyclobutyl)methyl]-2-methylbutan-1-amine
CID 165486818
1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
CID 59927644
1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
CID 58877698

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole?
The IUPAC name of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole (CID 126638711) is 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole.
What is the SMILES notation for 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole?
The canonical SMILES for 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole is c1cn(C2C[C@@H]3C[C@@H]3C2)cn1.
What is the InChIKey of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole?
The InChIKey is XPLJQLXJLMQFBT-JVHMLUBASA-N. The full InChI is InChI=1S/C9H12N2/c1-2-11(6-10-1)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2/t7-,8+,9?.
What are the key properties of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole?
1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole has a molecular weight of 148.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole is sourced from PubChem (CID 126638711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).