2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole

C10H9F3N2 — CID 142985998

IUPAC2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole
SMILESCc1nc2c([nH]1)C=CCC=C2C(F)(F)F
InChIInChI=1S/C10H9F3N2/c1-6-14-8-5-3-2-4-7(9(8)15-6)10(11,12)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyMTNYVBDPLYJKAU-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.08
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole

2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole (PubChem CID 142985998) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole
PubChem CID142985998
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole
SMILESCc1nc2c([nH]1)C=CCC=C2C(F)(F)F
InChIInChI=1S/C10H9F3N2/c1-6-14-8-5-3-2-4-7(9(8)15-6)10(11,12)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyMTNYVBDPLYJKAU-UHFFFAOYSA-N
XLogP3.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole (CID 142985998) is 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole is Cc1nc2c([nH]1)C=CCC=C2C(F)(F)F.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole?
The InChIKey is MTNYVBDPLYJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-6-14-8-5-3-2-4-7(9(8)15-6)10(11,12)13/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole?
2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole has a molecular weight of 214.19 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 142985998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).