[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C16H16F3N3O — CID 125000644

IUPAC[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cnc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]1
InChIInChI=1S/C16H16F3N3O/c1-10-8-20-14(21-10)12-6-7-22(9-12)15(23)11-2-4-13(5-3-11)16(17,18)19/h2-5,8,12H,6-7,9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyRXFCDVLHLKORJM-GFCCVEGCSA-N
MW323.32 g/mol
LogP3.37
Rot. Bonds2

About [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 125000644) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID125000644
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cnc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]1
InChIInChI=1S/C16H16F3N3O/c1-10-8-20-14(21-10)12-6-7-22(9-12)15(23)11-2-4-13(5-3-11)16(17,18)19/h2-5,8,12H,6-7,9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyRXFCDVLHLKORJM-GFCCVEGCSA-N
XLogP3.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 58494521
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 46851350
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110104147
3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951550
[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 124891749
1,3-benzodioxol-5-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125025134
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104637
2-methyl-5-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299457
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 125000644) is [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1cnc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]1.
What is the InChIKey of [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RXFCDVLHLKORJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-10-8-20-14(21-10)12-6-7-22(9-12)15(23)11-2-4-13(5-3-11)16(17,18)19/h2-5,8,12H,6-7,9H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 323.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 125000644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).