2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole

C10H8F6N2 — CID 88870246

IUPAC2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)CC(C(F)(F)F)C=C2C(F)(F)F
InChIInChI=1S/C10H8F6N2/c1-4-17-7-3-5(9(11,12)13)2-6(8(7)18-4)10(14,15)16/h2,5H,3H2,1H3,(H,17,18)
InChIKeyXNGLNWUBOSPDSX-UHFFFAOYSA-N
MW270.18 g/mol
LogP3.40
Rot. Bonds

About 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole

2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole (PubChem CID 88870246) has the molecular formula C10H8F6N2 and a molecular weight of 270.18 g/mol. Its IUPAC name is 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole
PubChem CID88870246
Molecular FormulaC10H8F6N2
Molecular Weight270.18 g/mol
Exact Mass270.06
IUPAC Name2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)CC(C(F)(F)F)C=C2C(F)(F)F
InChIInChI=1S/C10H8F6N2/c1-4-17-7-3-5(9(11,12)13)2-6(8(7)18-4)10(14,15)16/h2,5H,3H2,1H3,(H,17,18)
InChIKeyXNGLNWUBOSPDSX-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole?
The IUPAC name of 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole (CID 88870246) is 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole?
The canonical SMILES for 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole is Cc1nc2c([nH]1)CC(C(F)(F)F)C=C2C(F)(F)F.
What is the InChIKey of 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole?
The InChIKey is XNGLNWUBOSPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2/c1-4-17-7-3-5(9(11,12)13)2-6(8(7)18-4)10(14,15)16/h2,5H,3H2,1H3,(H,17,18).
What are the key properties of 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole?
2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole has a molecular weight of 270.18 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole is sourced from PubChem (CID 88870246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).