1H-cycloocta[d]imidazole

C9H8N2 — CID 123886935

IUPAC1H-cycloocta[d]imidazole
SMILESC1=CC=c2nc[nH]c2=CC=C1
InChIInChI=1S/C9H8N2/c1-2-4-6-9-8(5-3-1)10-7-11-9/h1-7H,(H,10,11)
InChIKeyZCEBQBLAXVRAFG-UHFFFAOYSA-N
MW144.18 g/mol
LogP0.10
Rot. Bonds

About 1H-cycloocta[d]imidazole

1H-cycloocta[d]imidazole (PubChem CID 123886935) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1H-cycloocta[d]imidazole.

Molecular Properties

Compound Name1H-cycloocta[d]imidazole
PubChem CID123886935
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1H-cycloocta[d]imidazole
SMILESC1=CC=c2nc[nH]c2=CC=C1
InChIInChI=1S/C9H8N2/c1-2-4-6-9-8(5-3-1)10-7-11-9/h1-7H,(H,10,11)
InChIKeyZCEBQBLAXVRAFG-UHFFFAOYSA-N
XLogP0.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88544990
(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine
CID 88947542
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
(5Z,7Z)-9-methylidene-1,4-dihydro-1,3-diazonine
CID 117691925
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole
CID 126759892
(4E)-4-ethylidene-5-methylidene-1H-imidazole
CID 130181806

Frequently Asked Questions

What is the IUPAC name of 1H-cycloocta[d]imidazole?
The IUPAC name of 1H-cycloocta[d]imidazole (CID 123886935) is 1H-cycloocta[d]imidazole.
What is the SMILES notation for 1H-cycloocta[d]imidazole?
The canonical SMILES for 1H-cycloocta[d]imidazole is C1=CC=c2nc[nH]c2=CC=C1.
What is the InChIKey of 1H-cycloocta[d]imidazole?
The InChIKey is ZCEBQBLAXVRAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-6-9-8(5-3-1)10-7-11-9/h1-7H,(H,10,11).
What are the key properties of 1H-cycloocta[d]imidazole?
1H-cycloocta[d]imidazole has a molecular weight of 144.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cycloocta[d]imidazole is sourced from PubChem (CID 123886935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).