[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone

C69H71F4N9O3 — CID 87399361

IUPAC[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH]1.Cc1cnc(CC2CCN(C(=O)c3ccc(-c4ccccc4F)cc3)CC2)[nH]1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C23H22F3N3O.C23H24FN3O.C23H25N3O/c24-23(25,26)20-15-27-21(28-20)14-16-10-12-29(13-11-16)22(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17;1-16-15-25-22(26-16)14-17-10-12-27(13-11-17)23(28)19-8-6-18(7-9-19)20-4-2-3-5-21(20)24;1-17-16-24-22(25-17)15-18-11-13-26(14-12-18)23(27)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h1-9,15-16H,10-14H2,(H,27,28);2-9,15,17H,10-14H2,1H3,(H,25,26);2-10,16,18H,11-15H2,1H3,(H,24,25)
InChIKeyIZDVBPKSZSRKPD-UHFFFAOYSA-N
MW1150.38 g/mol
LogP14.29
Rot. Bonds12

About [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone

[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 87399361) has the molecular formula C69H71F4N9O3 and a molecular weight of 1150.38 g/mol. Its IUPAC name is [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID87399361
Molecular FormulaC69H71F4N9O3
Molecular Weight1150.38 g/mol
Exact Mass1149.56
IUPAC Name[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH]1.Cc1cnc(CC2CCN(C(=O)c3ccc(-c4ccccc4F)cc3)CC2)[nH]1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C23H22F3N3O.C23H24FN3O.C23H25N3O/c24-23(25,26)20-15-27-21(28-20)14-16-10-12-29(13-11-16)22(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17;1-16-15-25-22(26-16)14-17-10-12-27(13-11-17)23(28)19-8-6-18(7-9-19)20-4-2-3-5-21(20)24;1-17-16-24-22(25-17)15-18-11-13-26(14-12-18)23(27)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h1-9,15-16H,10-14H2,(H,27,28);2-9,15,17H,10-14H2,1H3,(H,25,26);2-10,16,18H,11-15H2,1H3,(H,24,25)
InChIKeyIZDVBPKSZSRKPD-UHFFFAOYSA-N
XLogP14.29
TPSA146.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.38
LogP ≤ 514.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 24737672
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 24897548
(2R)-2-(diethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 67145941
(2R)-2-[ethyl(methyl)amino]-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-[ethyl(methyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 67145956
(2R)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 67146944
(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 76332556
(2S)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 67146695
2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 68635466
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 49772399
2-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-3H-isoindol-1-one
CID 164883956
2-[(3-Fluorophenyl)-(3H-imidazo-[4,5-b]pyridin-2-yl)methyl]-6-[4-(1-methyl-4-piperidyl)phenyl]-isoindolin-1-one
CID 166509744
2-[ethyl(methyl)amino]-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[ethyl(methyl)amino]-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 86578504

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (CID 87399361) is [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is Cc1cnc(CC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH]1.Cc1cnc(CC2CCN(C(=O)c3ccc(-c4ccccc4F)cc3)CC2)[nH]1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is IZDVBPKSZSRKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O.C23H24FN3O.C23H25N3O/c24-23(25,26)20-15-27-21(28-20)14-16-10-12-29(13-11-16)22(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17;1-16-15-25-22(26-16)14-17-10-12-27(13-11-17)23(28)19-8-6-18(7-9-19)20-4-2-3-5-21(20)24;1-17-16-24-22(25-17)15-18-11-13-26(14-12-18)23(27)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h1-9,15-16H,10-14H2,(H,27,28);2-9,15,17H,10-14H2,1H3,(H,25,26);2-10,16,18H,11-15H2,1H3,(H,24,25).
What are the key properties of [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
[4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 1150.38 g/mol, XLogP of 14.29, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)phenyl]-[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]methanone;[4-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-(4-phenylphenyl)methanone;(4-phenylphenyl)-[4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 87399361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).