3,7-dihydrocyclohepta[d]imidazole

C8H8N2 — CID 91179014

IUPAC3,7-dihydrocyclohepta[d]imidazole
SMILESC1=CCC=c2nc[nH]c2=C1
InChIInChI=1S/C8H8N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-2,4-6H,3H2,(H,9,10)
InChIKeyOOJYUINTWGSALX-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.07
Rot. Bonds

About 3,7-dihydrocyclohepta[d]imidazole

3,7-dihydrocyclohepta[d]imidazole (PubChem CID 91179014) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3,7-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name3,7-dihydrocyclohepta[d]imidazole
PubChem CID91179014
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3,7-dihydrocyclohepta[d]imidazole
SMILESC1=CCC=c2nc[nH]c2=C1
InChIInChI=1S/C8H8N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-2,4-6H,3H2,(H,9,10)
InChIKeyOOJYUINTWGSALX-UHFFFAOYSA-N
XLogP-0.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,5E)-4-(2-fluoroethylidene)-5-(2-fluoropropylidene)-1H-imidazole
CID 144356998
5,6-dihydro-1H-benzimidazole
CID 68269788
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
5,5-dimethyl-1H-cyclohepta[d]imidazole
CID 123139076
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
10-methylidene-4,5-dihydro-1H-1,3-diazecine
CID 123465078
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
1H-cycloocta[d]imidazole
CID 123886935
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydrocyclohepta[d]imidazole?
The IUPAC name of 3,7-dihydrocyclohepta[d]imidazole (CID 91179014) is 3,7-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 3,7-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 3,7-dihydrocyclohepta[d]imidazole is C1=CCC=c2nc[nH]c2=C1.
What is the InChIKey of 3,7-dihydrocyclohepta[d]imidazole?
The InChIKey is OOJYUINTWGSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-2,4-6H,3H2,(H,9,10).
What are the key properties of 3,7-dihydrocyclohepta[d]imidazole?
3,7-dihydrocyclohepta[d]imidazole has a molecular weight of 132.17 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 91179014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).