3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone

C141H132N26O9S2 — CID 159493070

IUPAC3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
SMILESCCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.COc1cccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cn2)c1.O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1nc(-c2ccccc2)cs1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H25N5O2.C25H24N4O2.C24H22N4O2.C23H21N5O.2C22H20N4OS/c1-2-32-24-19(16-26-22(29-24)17-8-4-3-5-9-17)25(31)30-14-12-18(13-15-30)23-27-20-10-6-7-11-21(20)28-23;1-31-20-6-4-5-18(15-20)21-10-9-19(16-26-21)25(30)29-13-11-17(12-14-29)24-27-22-7-2-3-8-23(22)28-24;29-23-18(10-11-19(27-23)16-6-2-1-3-7-16)24(30)28-14-12-17(13-15-28)22-25-20-8-4-5-9-21(20)26-22;29-23(18-14-24-21(25-15-18)16-6-2-1-3-7-16)28-12-10-17(11-13-28)22-26-19-8-4-5-9-20(19)27-22;27-22(19-14-28-21(25-19)16-6-2-1-3-7-16)26-12-10-15(11-13-26)20-23-17-8-4-5-9-18(17)24-20;27-22(21-25-19(14-28-21)15-6-2-1-3-7-15)26-12-10-16(11-13-26)20-23-17-8-4-5-9-18(17)24-20/h3-11,16,18H,2,12-15H2,1H3,(H,27,28);2-10,15-17H,11-14H2,1H3,(H,27,28);1-11,17H,12-15H2,(H,25,26)(H,27,29);1-9,14-15,17H,10-13H2,(H,26,27);1-9,14-15H,10-13H2,(H,23,24);1-9,14,16H,10-13H2,(H,23,24)
InChIKeyLYKZWEDVFDHEBD-UHFFFAOYSA-N
MW2398.91 g/mol
LogP26.48
Rot. Bonds21

About 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone

3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone (PubChem CID 159493070) has the molecular formula C141H132N26O9S2 and a molecular weight of 2398.91 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
PubChem CID159493070
Molecular FormulaC141H132N26O9S2
Molecular Weight2398.91 g/mol
Exact Mass2397.01
IUPAC Name3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
SMILESCCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.COc1cccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cn2)c1.O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1nc(-c2ccccc2)cs1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H25N5O2.C25H24N4O2.C24H22N4O2.C23H21N5O.2C22H20N4OS/c1-2-32-24-19(16-26-22(29-24)17-8-4-3-5-9-17)25(31)30-14-12-18(13-15-30)23-27-20-10-6-7-11-21(20)28-23;1-31-20-6-4-5-18(15-20)21-10-9-19(16-26-21)25(30)29-13-11-17(12-14-29)24-27-22-7-2-3-8-23(22)28-24;29-23-18(10-11-19(27-23)16-6-2-1-3-7-16)24(30)28-14-12-17(13-15-28)22-25-20-8-4-5-9-21(20)26-22;29-23(18-14-24-21(25-15-18)16-6-2-1-3-7-16)28-12-10-17(11-13-28)22-26-19-8-4-5-9-20(19)27-22;27-22(19-14-28-21(25-19)16-6-2-1-3-7-16)26-12-10-15(11-13-26)20-23-17-8-4-5-9-18(17)24-20;27-22(21-25-19(14-28-21)15-6-2-1-3-7-15)26-12-10-16(11-13-26)20-23-17-8-4-5-9-18(17)24-20/h3-11,16,18H,2,12-15H2,1H3,(H,27,28);2-10,15-17H,11-14H2,1H3,(H,27,28);1-11,17H,12-15H2,(H,25,26)(H,27,29);1-9,14-15,17H,10-13H2,(H,26,27);1-9,14-15H,10-13H2,(H,23,24);1-9,14,16H,10-13H2,(H,23,24)
InChIKeyLYKZWEDVFDHEBD-UHFFFAOYSA-N
XLogP26.48
TPSA435.49 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002398.91
LogP ≤ 526.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone (CID 159493070) is 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone is CCOc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.COc1cccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cn2)c1.O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1nc(-c2ccccc2)cs1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
The InChIKey is LYKZWEDVFDHEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.C25H24N4O2.C24H22N4O2.C23H21N5O.2C22H20N4OS/c1-2-32-24-19(16-26-22(29-24)17-8-4-3-5-9-17)25(31)30-14-12-18(13-15-30)23-27-20-10-6-7-11-21(20)28-23;1-31-20-6-4-5-18(15-20)21-10-9-19(16-26-21)25(30)29-13-11-17(12-14-29)24-27-22-7-2-3-8-23(22)28-24;29-23-18(10-11-19(27-23)16-6-2-1-3-7-16)24(30)28-14-12-17(13-15-28)22-25-20-8-4-5-9-21(20)26-22;29-23(18-14-24-21(25-15-18)16-6-2-1-3-7-16)28-12-10-17(11-13-28)22-26-19-8-4-5-9-20(19)27-22;27-22(19-14-28-21(25-19)16-6-2-1-3-7-16)26-12-10-15(11-13-26)20-23-17-8-4-5-9-18(17)24-20;27-22(21-25-19(14-28-21)15-6-2-1-3-7-15)26-12-10-16(11-13-26)20-23-17-8-4-5-9-18(17)24-20/h3-11,16,18H,2,12-15H2,1H3,(H,27,28);2-10,15-17H,11-14H2,1H3,(H,27,28);1-11,17H,12-15H2,(H,25,26)(H,27,29);1-9,14-15,17H,10-13H2,(H,26,27);1-9,14-15H,10-13H2,(H,23,24);1-9,14,16H,10-13H2,(H,23,24).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone has a molecular weight of 2398.91 g/mol, XLogP of 26.48, 21 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 159493070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).