2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C8H8ClF3N2 — CID 146198563

IUPAC2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFC(F)(F)C1CCc2nc(Cl)[nH]c2C1
InChIInChI=1S/C8H8ClF3N2/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h4H,1-3H2,(H,13,14)
InChIKeySAACARPYAWZRBM-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.73
Rot. Bonds

About 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 146198563) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID146198563
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFC(F)(F)C1CCc2nc(Cl)[nH]c2C1
InChIInChI=1S/C8H8ClF3N2/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h4H,1-3H2,(H,13,14)
InChIKeySAACARPYAWZRBM-UHFFFAOYSA-N
XLogP2.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 69238739
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 71695304
2-(4,4-difluorocyclohexyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine dihydrochloride
CID 121553325
4,5,6,7-tetrahydro-1H-benzo[d]imidazol-2-amine
CID 12365851
5-methyl-4-(2-methylpropyl)-2-(trifluoromethyl)-1H-imidazole
CID 117554301
4-(cyclopropylmethyl)-5-methyl-2-(trifluoromethyl)-1H-imidazole
CID 158252166
6,6-Dimethyl-1,4,5,7-tetrahydrobenzimidazole
CID 12485782
(5R,6R)-5,6-bis(azidomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine
CID 25214415
6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine
CID 66202110
2-(2-cyclohexylethyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 81936883
5,6-dimethyl-2-[3-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 81937074
5,6-dimethyl-2-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 81937077

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 146198563) is 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is FC(F)(F)C1CCc2nc(Cl)[nH]c2C1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is SAACARPYAWZRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h4H,1-3H2,(H,13,14).
What are the key properties of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 224.61 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 146198563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).