6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole

C9H9F3N2 — CID 146992511

IUPAC6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC2NC=NC2C=C1C(F)(F)F
InChIInChI=1S/C9H9F3N2/c1-5-2-7-8(14-4-13-7)3-6(5)9(10,11)12/h2-4,7-8H,1H3,(H,13,14)
InChIKeyAQLRRKYXKXJYRF-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.80
Rot. Bonds

About 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole

6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole (PubChem CID 146992511) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
PubChem CID146992511
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC2NC=NC2C=C1C(F)(F)F
InChIInChI=1S/C9H9F3N2/c1-5-2-7-8(14-4-13-7)3-6(5)9(10,11)12/h2-4,7-8H,1H3,(H,13,14)
InChIKeyAQLRRKYXKXJYRF-UHFFFAOYSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 89120906
4,7-difluoro-3a,7a-dihydro-1H-benzimidazole
CID 89300197
4-chloro-2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 89990526
4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281240
5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 149309374
6-fluoro-5-methyl-3a,6,7,7a-tetrahydro-1H-benzimidazole
CID 163582524
4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281241
2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 144315719
5-ethenyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-4,5-dihydro-1H-imidazole
CID 144315786
6-(difluoromethyl)-2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3a,7a-dihydro-1H-benzimidazole
CID 144415060
6-(difluoromethyl)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144415080
3a,7a-dihydro-1H-benzimidazole
CID 15762978

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole (CID 146992511) is 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole is CC1=CC2NC=NC2C=C1C(F)(F)F.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is AQLRRKYXKXJYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-5-2-7-8(14-4-13-7)3-6(5)9(10,11)12/h2-4,7-8H,1H3,(H,13,14).
What are the key properties of 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole?
6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 202.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 146992511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).