1-(cyclooctylmethyl)imidazole

C12H20N2 — CID 20550238

IUPAC1-(cyclooctylmethyl)imidazole
SMILESc1cn(CC2CCCCCCC2)cn1
InChIInChI=1S/C12H20N2/c1-2-4-6-12(7-5-3-1)10-14-9-8-13-11-14/h8-9,11-12H,1-7,10H2
InChIKeyMOLHMOFJDAFFPI-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.24
Rot. Bonds2

About 1-(cyclooctylmethyl)imidazole

1-(cyclooctylmethyl)imidazole (PubChem CID 20550238) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(cyclooctylmethyl)imidazole.

Molecular Properties

Compound Name1-(cyclooctylmethyl)imidazole
PubChem CID20550238
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(cyclooctylmethyl)imidazole
SMILESc1cn(CC2CCCCCCC2)cn1
InChIInChI=1S/C12H20N2/c1-2-4-6-12(7-5-3-1)10-14-9-8-13-11-14/h8-9,11-12H,1-7,10H2
InChIKeyMOLHMOFJDAFFPI-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one
CID 134441239
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
(2S)-2-(imidazol-1-ylmethyl)cycloheptan-1-one
CID 93020339
ethyl 3-[5-(imidazol-1-ylmethyl)cyclononyl]prop-2-ynoate
CID 134441238
1-[[(1R)-3,3-difluorocyclopentyl]methyl]imidazole
CID 129320568
1-[(3,3-difluorocyclopentyl)methyl]imidazole
CID 126782218
N-cyclopentyl-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493767
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylmethyl)imidazole?
The IUPAC name of 1-(cyclooctylmethyl)imidazole (CID 20550238) is 1-(cyclooctylmethyl)imidazole.
What is the SMILES notation for 1-(cyclooctylmethyl)imidazole?
The canonical SMILES for 1-(cyclooctylmethyl)imidazole is c1cn(CC2CCCCCCC2)cn1.
What is the InChIKey of 1-(cyclooctylmethyl)imidazole?
The InChIKey is MOLHMOFJDAFFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-4-6-12(7-5-3-1)10-14-9-8-13-11-14/h8-9,11-12H,1-7,10H2.
What are the key properties of 1-(cyclooctylmethyl)imidazole?
1-(cyclooctylmethyl)imidazole has a molecular weight of 192.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylmethyl)imidazole is sourced from PubChem (CID 20550238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).