[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone

C78H71F4N9O7 — CID 87579197

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(OC)c1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2/c1-32-21-11-12-22(25(17-21)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-23-5-3-4-6-24(23)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28)
InChIKeyTZIFZPFZRMRGME-UHFFFAOYSA-N
MW1322.47 g/mol
LogP16.93
Rot. Bonds13

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone (PubChem CID 87579197) has the molecular formula C78H71F4N9O7 and a molecular weight of 1322.47 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
PubChem CID87579197
Molecular FormulaC78H71F4N9O7
Molecular Weight1322.47 g/mol
Exact Mass1321.54
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(OC)c1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2/c1-32-21-11-12-22(25(17-21)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-23-5-3-4-6-24(23)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28)
InChIKeyTZIFZPFZRMRGME-UHFFFAOYSA-N
XLogP16.93
TPSA183.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.47
LogP ≤ 516.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone (CID 87579197) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(OC)c1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The InChIKey is TZIFZPFZRMRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2/c1-32-21-11-12-22(25(17-21)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-23-5-3-4-6-24(23)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone has a molecular weight of 1322.47 g/mol, XLogP of 16.93, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 87579197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).