2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole

C12H13F3N2 — CID 123522545

IUPAC2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)=CC(C1(C(F)(F)F)CC1)CC=2
InChIInChI=1S/C12H13F3N2/c1-7-16-9-3-2-8(6-10(9)17-7)11(4-5-11)12(13,14)15/h3,6,8H,2,4-5H2,1H3,(H,16,17)
InChIKeyNKCFPFXMVVHAPW-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.64
Rot. Bonds1

About 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole

2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole (PubChem CID 123522545) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole
PubChem CID123522545
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)=CC(C1(C(F)(F)F)CC1)CC=2
InChIInChI=1S/C12H13F3N2/c1-7-16-9-3-2-8(6-10(9)17-7)11(4-5-11)12(13,14)15/h3,6,8H,2,4-5H2,1H3,(H,16,17)
InChIKeyNKCFPFXMVVHAPW-UHFFFAOYSA-N
XLogP1.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole
CID 123327195
6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 149243999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole?
The IUPAC name of 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole (CID 123522545) is 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole is Cc1nc2c([nH]1)=CC(C1(C(F)(F)F)CC1)CC=2.
What is the InChIKey of 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole?
The InChIKey is NKCFPFXMVVHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-7-16-9-3-2-8(6-10(9)17-7)11(4-5-11)12(13,14)15/h3,6,8H,2,4-5H2,1H3,(H,16,17).
What are the key properties of 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole?
2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole has a molecular weight of 242.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 123522545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).