[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C68H63F6N9O3S2 — CID 87459741

IUPAC[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCCn1c(-c2csc(C3CCN(C(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)CC3)n2)nc(-c2ccccc2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2cccnc2)c1C
InChIInChI=1S/C35H33F3N4O2S.C33H30F3N5OS/c1-4-42-23(3)31(25-10-6-5-7-11-25)40-32(42)29-21-45-33(39-29)26-17-19-41(20-18-26)34(43)28-12-8-9-22(2)30(28)24-13-15-27(16-14-24)44-35(36,37)38;1-3-41-21(2)29(24-7-6-16-37-19-24)39-30(41)28-20-43-31(38-28)23-14-17-40(18-15-23)32(42)27-9-5-4-8-26(27)22-10-12-25(13-11-22)33(34,35)36/h5-16,21,26H,4,17-20H2,1-3H3;4-13,16,19-20,23H,3,14-15,17-18H2,1-2H3
InChIKeyNAVUHAJCYCTHSQ-UHFFFAOYSA-N
MW1232.43 g/mol
LogP17.00
Rot. Bonds13

About [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 87459741) has the molecular formula C68H63F6N9O3S2 and a molecular weight of 1232.43 g/mol. Its IUPAC name is [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID87459741
Molecular FormulaC68H63F6N9O3S2
Molecular Weight1232.43 g/mol
Exact Mass1231.44
IUPAC Name[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCCn1c(-c2csc(C3CCN(C(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)CC3)n2)nc(-c2ccccc2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2cccnc2)c1C
InChIInChI=1S/C35H33F3N4O2S.C33H30F3N5OS/c1-4-42-23(3)31(25-10-6-5-7-11-25)40-32(42)29-21-45-33(39-29)26-17-19-41(20-18-26)34(43)28-12-8-9-22(2)30(28)24-13-15-27(16-14-24)44-35(36,37)38;1-3-41-21(2)29(24-7-6-16-37-19-24)39-30(41)28-20-43-31(38-28)23-14-17-40(18-15-23)32(42)27-9-5-4-8-26(27)22-10-12-25(13-11-22)33(34,35)36/h5-16,21,26H,4,17-20H2,1-3H3;4-13,16,19-20,23H,3,14-15,17-18H2,1-2H3
InChIKeyNAVUHAJCYCTHSQ-UHFFFAOYSA-N
XLogP17.00
TPSA124.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.43
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 87459741) is [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is CCn1c(-c2csc(C3CCN(C(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)CC3)n2)nc(-c2ccccc2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2cccnc2)c1C.
What is the InChIKey of [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is NAVUHAJCYCTHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N4O2S.C33H30F3N5OS/c1-4-42-23(3)31(25-10-6-5-7-11-25)40-32(42)29-21-45-33(39-29)26-17-19-41(20-18-26)34(43)28-12-8-9-22(2)30(28)24-13-15-27(16-14-24)44-35(36,37)38;1-3-41-21(2)29(24-7-6-16-37-19-24)39-30(41)28-20-43-31(38-28)23-14-17-40(18-15-23)32(42)27-9-5-4-8-26(27)22-10-12-25(13-11-22)33(34,35)36/h5-16,21,26H,4,17-20H2,1-3H3;4-13,16,19-20,23H,3,14-15,17-18H2,1-2H3.
What are the key properties of [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
[4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 1232.43 g/mol, XLogP of 17.00, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 87459741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).