1-cycloheptylimidazole-4,5-dicarbonitrile

C12H14N4 — CID 112595680

IUPAC1-cycloheptylimidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C2CCCCCC2)c1C#N
InChIInChI=1S/C12H14N4/c13-7-11-12(8-14)16(9-15-11)10-5-3-1-2-4-6-10/h9-10H,1-6H2
InChIKeyXQFCGZDJDURIFH-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.52
Rot. Bonds1

About 1-cycloheptylimidazole-4,5-dicarbonitrile

1-cycloheptylimidazole-4,5-dicarbonitrile (PubChem CID 112595680) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-cycloheptylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-cycloheptylimidazole-4,5-dicarbonitrile
PubChem CID112595680
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-cycloheptylimidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C2CCCCCC2)c1C#N
InChIInChI=1S/C12H14N4/c13-7-11-12(8-14)16(9-15-11)10-5-3-1-2-4-6-10/h9-10H,1-6H2
InChIKeyXQFCGZDJDURIFH-UHFFFAOYSA-N
XLogP2.52
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4,5-dicarbonitrile
CID 102732435
1-[(1R,2R)-2-hydroxycyclohexyl]imidazole-4,5-dicarbonitrile
CID 102732433
1-(1,4-dioxaspiro[4.5]decan-8-yl)imidazole-4,5-dicarbonitrile
CID 86799264
1-cycloheptyl-1,2,4-triazole-3-carbonitrile
CID 82924529
3-cyclohexylquinazoline-4-thione
CID 102039202
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
CID 86794622
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarbonitrile
CID 3006680
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile
CID 123584277
1-[[1-(bromomethyl)cyclohexyl]methyl]imidazole-4,5-dicarbonitrile
CID 112595066

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-cycloheptylimidazole-4,5-dicarbonitrile (CID 112595680) is 1-cycloheptylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-cycloheptylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-cycloheptylimidazole-4,5-dicarbonitrile is N#Cc1ncn(C2CCCCCC2)c1C#N.
What is the InChIKey of 1-cycloheptylimidazole-4,5-dicarbonitrile?
The InChIKey is XQFCGZDJDURIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-7-11-12(8-14)16(9-15-11)10-5-3-1-2-4-6-10/h9-10H,1-6H2.
What are the key properties of 1-cycloheptylimidazole-4,5-dicarbonitrile?
1-cycloheptylimidazole-4,5-dicarbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).