2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole

C39H46ClF3N6 — CID 160771412

IUPAC2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(CC)c1Cc1ncc[nH]1.Cc1cc(C)c(C)c(Cc2ncc[nH]2)c1C.FC(F)(F)c1cccc(CC2=NCCN2)c1Cl
InChIInChI=1S/2C14H18N2.C11H10ClF3N2/c1-9-7-10(2)12(4)13(11(9)3)8-14-15-5-6-16-14;1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14;12-10-7(6-9-16-4-5-17-9)2-1-3-8(10)11(13,14)15/h5-7H,8H2,1-4H3,(H,15,16);5-9H,3-4,10H2,1-2H3,(H,15,16);1-3H,4-6H2,(H,16,17)
InChIKeyRZJFCQYKPFCJKH-UHFFFAOYSA-N
MW691.29 g/mol
LogP9.26
Rot. Bonds8

About 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole

2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole (PubChem CID 160771412) has the molecular formula C39H46ClF3N6 and a molecular weight of 691.29 g/mol. Its IUPAC name is 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole
PubChem CID160771412
Molecular FormulaC39H46ClF3N6
Molecular Weight691.29 g/mol
Exact Mass690.34
IUPAC Name2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(CC)c1Cc1ncc[nH]1.Cc1cc(C)c(C)c(Cc2ncc[nH]2)c1C.FC(F)(F)c1cccc(CC2=NCCN2)c1Cl
InChIInChI=1S/2C14H18N2.C11H10ClF3N2/c1-9-7-10(2)12(4)13(11(9)3)8-14-15-5-6-16-14;1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14;12-10-7(6-9-16-4-5-17-9)2-1-3-8(10)11(13,14)15/h5-7H,8H2,1-4H3,(H,15,16);5-9H,3-4,10H2,1-2H3,(H,15,16);1-3H,4-6H2,(H,16,17)
InChIKeyRZJFCQYKPFCJKH-UHFFFAOYSA-N
XLogP9.26
TPSA81.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.29
LogP ≤ 59.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole with MolForge

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Related Compounds

2-((2-chlorophenyl)diphenylmethyl)-1H-imidazole
CID 14122589
2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole
CID 21409543
2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
CID 66771243
2-[1-[2-chloro-3-(trifluoromethyl)phenyl]ethenyl]-1H-imidazole
CID 66771330
2-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole
CID 69119096
2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole
CID 69120162
2-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole;hydrochloride
CID 69388731
2-[(2-chloro-6-fluorophenyl)-(cyclohexen-1-yl)methyl]-1H-imidazole
CID 70390406
2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
CID 90878171
2-chloro-4-[3-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-[2-(trifluoromethyl)phenyl]butyl]benzonitrile
CID 143480601
N-[3-[4-chloro-7-fluoro-3-methylidene-5-(4-piperidin-4-ylphenyl)-1H-isoindol-2-yl]-3-(5-fluoro-2-methylphenyl)prop-1-en-2-yl]-1H-imidazol-2-amine
CID 155431840
N-[(5E,7Z)-3-[4-chloro-7-fluoro-3-methylidene-5-(4-piperidin-4-ylphenyl)-1H-isoindol-2-yl]-6-fluoro-4-methylidenenona-1,5,7-trien-2-yl]-1H-imidazol-2-amine
CID 170229606

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole (CID 160771412) is 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole is CCc1cccc(CC)c1Cc1ncc[nH]1.Cc1cc(C)c(C)c(Cc2ncc[nH]2)c1C.FC(F)(F)c1cccc(CC2=NCCN2)c1Cl.
What is the InChIKey of 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
The InChIKey is RZJFCQYKPFCJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18N2.C11H10ClF3N2/c1-9-7-10(2)12(4)13(11(9)3)8-14-15-5-6-16-14;1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14;12-10-7(6-9-16-4-5-17-9)2-1-3-8(10)11(13,14)15/h5-7H,8H2,1-4H3,(H,15,16);5-9H,3-4,10H2,1-2H3,(H,15,16);1-3H,4-6H2,(H,16,17).
What are the key properties of 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole has a molecular weight of 691.29 g/mol, XLogP of 9.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 160771412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).