1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole

C13H16N4 — CID 155915295

IUPAC1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole
SMILESc1c[nH]c(-c2nccn2[C@@H]2C[C@@H]3CC[C@H]2C3)n1
InChIInChI=1S/C13H16N4/c1-2-10-7-9(1)8-11(10)17-6-5-16-13(17)12-14-3-4-15-12/h3-6,9-11H,1-2,7-8H2,(H,14,15)/t9-,10+,11-/m1/s1
InChIKeyQPSJZOOTMBMCBC-OUAUKWLOSA-N
MW228.30 g/mol
LogP2.63
Rot. Bonds2

About 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole

1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole (PubChem CID 155915295) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole
PubChem CID155915295
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole
SMILESc1c[nH]c(-c2nccn2[C@@H]2C[C@@H]3CC[C@H]2C3)n1
InChIInChI=1S/C13H16N4/c1-2-10-7-9(1)8-11(10)17-6-5-16-13(17)12-14-3-4-15-12/h3-6,9-11H,1-2,7-8H2,(H,14,15)/t9-,10+,11-/m1/s1
InChIKeyQPSJZOOTMBMCBC-OUAUKWLOSA-N
XLogP2.63
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole with MolForge

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Related Compounds

1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
CID 69224518
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole
CID 114246983
1-(4,4-difluorocyclohexyl)-2-(1H-imidazol-2-yl)imidazole
CID 155913701
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-methylpurine
CID 56679939
1-[1-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol
CID 155919021
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
3-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1H-imidazole-2-thione
CID 81335463
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine
CID 106575477
1-(2-bicyclo[2.2.1]heptanyl)pyrazol-3-amine
CID 130494319
1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole
CID 130494807

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole?
The IUPAC name of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole (CID 155915295) is 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole.
What is the SMILES notation for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole?
The canonical SMILES for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole is c1c[nH]c(-c2nccn2[C@@H]2C[C@@H]3CC[C@H]2C3)n1.
What is the InChIKey of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole?
The InChIKey is QPSJZOOTMBMCBC-OUAUKWLOSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-10-7-9(1)8-11(10)17-6-5-16-13(17)12-14-3-4-15-12/h3-6,9-11H,1-2,7-8H2,(H,14,15)/t9-,10+,11-/m1/s1.
What are the key properties of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole?
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole has a molecular weight of 228.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole is sourced from PubChem (CID 155915295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).