6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole

C10H8ClF3N2 — CID 142985985

IUPAC6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole
SMILESCc1nc2c([nH]1)CC(C(F)(F)F)=C(Cl)C=C2
InChIInChI=1S/C10H8ClF3N2/c1-5-15-8-3-2-7(11)6(10(12,13)14)4-9(8)16-5/h2-3H,4H2,1H3,(H,15,16)
InChIKeyNFGWRTYHVWYPAK-UHFFFAOYSA-N
MW248.63 g/mol
LogP3.34
Rot. Bonds

About 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole

6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole (PubChem CID 142985985) has the molecular formula C10H8ClF3N2 and a molecular weight of 248.63 g/mol. Its IUPAC name is 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole
PubChem CID142985985
Molecular FormulaC10H8ClF3N2
Molecular Weight248.63 g/mol
Exact Mass248.03
IUPAC Name6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole
SMILESCc1nc2c([nH]1)CC(C(F)(F)F)=C(Cl)C=C2
InChIInChI=1S/C10H8ClF3N2/c1-5-15-8-3-2-7(11)6(10(12,13)14)4-9(8)16-5/h2-3H,4H2,1H3,(H,15,16)
InChIKeyNFGWRTYHVWYPAK-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole?
The IUPAC name of 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole (CID 142985985) is 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole is Cc1nc2c([nH]1)CC(C(F)(F)F)=C(Cl)C=C2.
What is the InChIKey of 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole?
The InChIKey is NFGWRTYHVWYPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2/c1-5-15-8-3-2-7(11)6(10(12,13)14)4-9(8)16-5/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole?
6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole has a molecular weight of 248.63 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 142985985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).