1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole

C11H11F3N2 — CID 21052064

IUPAC1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCN1CC(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C11H11F3N2/c1-16-7-9(11(12,13)14)15-10(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeySHIAYVKNRABHFT-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.31
Rot. Bonds1

About 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole

1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 21052064) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID21052064
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCN1CC(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C11H11F3N2/c1-16-7-9(11(12,13)14)15-10(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeySHIAYVKNRABHFT-UHFFFAOYSA-N
XLogP2.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylimidazoline
CID 13639
2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
CID 3746427
2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 231469
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
2-Imidazoline, 2-benzyl-1-methyl-
CID 47570
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
CID 10374995
2-[4-(Trifluoromethyl)phenyl]-1-imidazoline
CID 11241345
5-Methyl-2-(m-tolyl)-4,5-dihydro-1H-imidazole
CID 19763483
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
5-methyl-2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269044
2-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269128
N-((4-Hexyl-1-piperazinyl)phenylmethylene)-2-methyl-1-propanamine
CID 40026

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole (CID 21052064) is 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole is CN1CC(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is SHIAYVKNRABHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-16-7-9(11(12,13)14)15-10(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 228.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 21052064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).