1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole

C16H17IN2 — CID 114246983

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole
SMILESIc1cccc(-c2nccn2C2CC3CCC2C3)c1
InChIInChI=1S/C16H17IN2/c17-14-3-1-2-13(10-14)16-18-6-7-19(16)15-9-11-4-5-12(15)8-11/h1-3,6-7,10-12,15H,4-5,8-9H2
InChIKeyBTSQCROVDNETGG-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.52
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole

1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole (PubChem CID 114246983) has the molecular formula C16H17IN2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole
PubChem CID114246983
Molecular FormulaC16H17IN2
Molecular Weight364.23 g/mol
Exact Mass364.04
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole
SMILESIc1cccc(-c2nccn2C2CC3CCC2C3)c1
InChIInChI=1S/C16H17IN2/c17-14-3-1-2-13(10-14)16-18-6-7-19(16)15-9-11-4-5-12(15)8-11/h1-3,6-7,10-12,15H,4-5,8-9H2
InChIKeyBTSQCROVDNETGG-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
CID 79787135
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-imidazol-2-yl)imidazole
CID 155915295
1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
CID 69224518
1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole
CID 130494807
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467
2-(2-phenylimidazol-1-yl)cycloheptan-1-amine
CID 61070661
4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 51027599
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 7306199
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole
CID 114210627
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
(3aS,5S,6S,7aR)-2-cyclobutyl-6-(2-phenylimidazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 171155950

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole (CID 114246983) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole is Ic1cccc(-c2nccn2C2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole?
The InChIKey is BTSQCROVDNETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2/c17-14-3-1-2-13(10-14)16-18-6-7-19(16)15-9-11-4-5-12(15)8-11/h1-3,6-7,10-12,15H,4-5,8-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole?
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole has a molecular weight of 364.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole is sourced from PubChem (CID 114246983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).