[5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine

C10H10F3N3 — CID 142937788

IUPAC[5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine
SMILESNCC1=c2nc[nH]c2=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-6(4-14)9-8(3-7)15-5-16-9/h2-3,5H,1,4,14H2,(H,15,16)
InChIKeyGRYAJOMNBYSPBJ-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.19
Rot. Bonds1

About [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine

[5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine (PubChem CID 142937788) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine
PubChem CID142937788
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name[5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine
SMILESNCC1=c2nc[nH]c2=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-6(4-14)9-8(3-7)15-5-16-9/h2-3,5H,1,4,14H2,(H,15,16)
InChIKeyGRYAJOMNBYSPBJ-UHFFFAOYSA-N
XLogP0.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1H-imidazole
CID 144415068
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
5,7-Dimethyl-3,7-dihydrocyclohepta[d]imidazole
CID 135246009
6-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 147459699

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine?
The IUPAC name of [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine (CID 142937788) is [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine is NCC1=c2nc[nH]c2=CC(C(F)(F)F)=CC1.
What is the InChIKey of [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine?
The InChIKey is GRYAJOMNBYSPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-6(4-14)9-8(3-7)15-5-16-9/h2-3,5H,1,4,14H2,(H,15,16).
What are the key properties of [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine?
[5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine has a molecular weight of 229.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine is sourced from PubChem (CID 142937788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).