1-imidazol-1-ylcyclooctane-1-carboxylic acid

C12H18N2O2 — CID 82235123

IUPAC1-imidazol-1-ylcyclooctane-1-carboxylic acid
SMILESO=C(O)C1(n2ccnc2)CCCCCCC1
InChIInChI=1S/C12H18N2O2/c15-11(16)12(14-9-8-13-10-14)6-4-2-1-3-5-7-12/h8-10H,1-7H2,(H,15,16)
InChIKeyRNRIEBREWZEFLQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.41
Rot. Bonds2

About 1-imidazol-1-ylcyclooctane-1-carboxylic acid

1-imidazol-1-ylcyclooctane-1-carboxylic acid (PubChem CID 82235123) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-imidazol-1-ylcyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-imidazol-1-ylcyclooctane-1-carboxylic acid
PubChem CID82235123
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-imidazol-1-ylcyclooctane-1-carboxylic acid
SMILESO=C(O)C1(n2ccnc2)CCCCCCC1
InChIInChI=1S/C12H18N2O2/c15-11(16)12(14-9-8-13-10-14)6-4-2-1-3-5-7-12/h8-10H,1-7H2,(H,15,16)
InChIKeyRNRIEBREWZEFLQ-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-imidazol-1-yloxane-4-carboxylic acid
CID 82235125
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CID 70784403
4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
CID 70712775
6-imidazol-1-yl-1-methoxy-5,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 166265102
4-imidazol-1-yl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 70785887
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
(1-imidazol-1-ylcyclooctyl)methanamine
CID 82507469
4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
CID 95872164
1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56889081
1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56901729
4-imidazol-1-yl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl]piperidine-4-carboxylic acid
CID 95871370

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylcyclooctane-1-carboxylic acid?
The IUPAC name of 1-imidazol-1-ylcyclooctane-1-carboxylic acid (CID 82235123) is 1-imidazol-1-ylcyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-imidazol-1-ylcyclooctane-1-carboxylic acid?
The canonical SMILES for 1-imidazol-1-ylcyclooctane-1-carboxylic acid is O=C(O)C1(n2ccnc2)CCCCCCC1.
What is the InChIKey of 1-imidazol-1-ylcyclooctane-1-carboxylic acid?
The InChIKey is RNRIEBREWZEFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11(16)12(14-9-8-13-10-14)6-4-2-1-3-5-7-12/h8-10H,1-7H2,(H,15,16).
What are the key properties of 1-imidazol-1-ylcyclooctane-1-carboxylic acid?
1-imidazol-1-ylcyclooctane-1-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylcyclooctane-1-carboxylic acid is sourced from PubChem (CID 82235123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).