6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole

C9H8ClF3N2 — CID 138465207

IUPAC6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole
SMILESCC1=C(Cl)C=C2NC(C(F)(F)F)=NC2C1
InChIInChI=1S/C9H8ClF3N2/c1-4-2-6-7(3-5(4)10)15-8(14-6)9(11,12)13/h3,6H,2H2,1H3,(H,14,15)
InChIKeyHWZWMZQBTYFAMM-UHFFFAOYSA-N
MW236.62 g/mol
LogP2.72
Rot. Bonds

About 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole

6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole (PubChem CID 138465207) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole
PubChem CID138465207
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole
SMILESCC1=C(Cl)C=C2NC(C(F)(F)F)=NC2C1
InChIInChI=1S/C9H8ClF3N2/c1-4-2-6-7(3-5(4)10)15-8(14-6)9(11,12)13/h3,6H,2H2,1H3,(H,14,15)
InChIKeyHWZWMZQBTYFAMM-UHFFFAOYSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole (CID 138465207) is 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole is CC1=C(Cl)C=C2NC(C(F)(F)F)=NC2C1.
What is the InChIKey of 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole?
The InChIKey is HWZWMZQBTYFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c1-4-2-6-7(3-5(4)10)15-8(14-6)9(11,12)13/h3,6H,2H2,1H3,(H,14,15).
What are the key properties of 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole?
6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole has a molecular weight of 236.62 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-(trifluoromethyl)-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 138465207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).