cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone

C18H18F3N3O — CID 95630311

IUPACcyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H]1c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-4-1-3-12(9-13)14-10-22-16(23-14)15-5-2-8-24(15)17(25)11-6-7-11/h1,3-4,9-11,15H,2,5-8H2,(H,22,23)/t15-/m1/s1
InChIKeyBSTMQLWKTCCDHF-OAHLLOKOSA-N
MW349.36 g/mol
LogP4.17
Rot. Bonds3

About cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone

cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95630311) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95630311
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Namecyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H]1c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-4-1-3-12(9-13)14-10-22-16(23-14)15-5-2-8-24(15)17(25)11-6-7-11/h1,3-4,9-11,15H,2,5-8H2,(H,22,23)/t15-/m1/s1
InChIKeyBSTMQLWKTCCDHF-OAHLLOKOSA-N
XLogP4.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
CID 21027535
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
[(2R)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 95771955
(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
2-methoxy-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 146152365
cyclohexyl-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057467
1-[2-[5-(3-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 174731623
N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10173110
methyl N-[(2S)-1-[(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]sulfonyloxyphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 142736585
N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10194221

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone (CID 95630311) is cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@@H]1c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is BSTMQLWKTCCDHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)13-4-1-3-12(9-13)14-10-22-16(23-14)15-5-2-8-24(15)17(25)11-6-7-11/h1,3-4,9-11,15H,2,5-8H2,(H,22,23)/t15-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone?
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 349.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95630311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).