4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole

C10H10ClF3N2 — CID 147366901

IUPAC4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)CC(C)(C(F)(F)F)C=C2Cl
InChIInChI=1S/C10H10ClF3N2/c1-5-15-7-4-9(2,10(12,13)14)3-6(11)8(7)16-5/h3H,4H2,1-2H3,(H,15,16)
InChIKeyDIIQMVSIGHZYBC-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.42
Rot. Bonds

About 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole

4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole (PubChem CID 147366901) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole
PubChem CID147366901
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)CC(C)(C(F)(F)F)C=C2Cl
InChIInChI=1S/C10H10ClF3N2/c1-5-15-7-4-9(2,10(12,13)14)3-6(11)8(7)16-5/h3H,4H2,1-2H3,(H,15,16)
InChIKeyDIIQMVSIGHZYBC-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole?
The IUPAC name of 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole (CID 147366901) is 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole.
What is the SMILES notation for 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole?
The canonical SMILES for 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole is Cc1nc2c([nH]1)CC(C)(C(F)(F)F)C=C2Cl.
What is the InChIKey of 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole?
The InChIKey is DIIQMVSIGHZYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c1-5-15-7-4-9(2,10(12,13)14)3-6(11)8(7)16-5/h3H,4H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole?
4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole has a molecular weight of 250.65 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole is sourced from PubChem (CID 147366901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).