1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone

C130H117N25O6 — CID 157290419

IUPAC1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.CC(=O)c1ccc(-n2cnc3ccc(-c4ccoc4)cc32)cc1.Cc1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cccnc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cncnc4)cc32)cc1
InChIInChI=1S/2C25H25N5O.C24H24N6O.C20H15N3O.C19H14N2O2.C17H14N4/c31-25(17-29-14-2-1-3-15-29)28-21-5-7-22(8-6-21)30-18-27-23-9-4-20(16-24(23)30)19-10-12-26-13-11-19;31-25(17-29-13-2-1-3-14-29)28-21-7-9-22(10-8-21)30-18-27-23-11-6-19(15-24(23)30)20-5-4-12-26-16-20;31-24(15-29-10-2-1-3-11-29)28-20-5-7-21(8-6-20)30-17-27-22-9-4-18(12-23(22)30)19-13-25-16-26-14-19;1-14(24)15-2-5-18(6-3-15)23-13-22-19-7-4-17(12-20(19)23)16-8-10-21-11-9-16;1-13(22)14-2-5-17(6-3-14)21-12-20-18-7-4-15(10-19(18)21)16-8-9-23-11-16;1-12-2-5-15(6-3-12)21-11-18-16-7-4-13(8-17(16)21)14-9-19-20-10-14/h4-13,16,18H,1-3,14-15,17H2,(H,28,31);4-12,15-16,18H,1-3,13-14,17H2,(H,28,31);4-9,12-14,16-17H,1-3,10-11,15H2,(H,28,31);2-13H,1H3;2-12H,1H3;2-11H,1H3,(H,19,20)
InChIKeyBASUJUIMUDXNPF-UHFFFAOYSA-N
MW2125.53 g/mol
LogP25.43
Rot. Bonds23

About 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone

1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone (PubChem CID 157290419) has the molecular formula C130H117N25O6 and a molecular weight of 2125.53 g/mol. Its IUPAC name is 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone
PubChem CID157290419
Molecular FormulaC130H117N25O6
Molecular Weight2125.53 g/mol
Exact Mass2123.96
IUPAC Name1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.CC(=O)c1ccc(-n2cnc3ccc(-c4ccoc4)cc32)cc1.Cc1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cccnc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cncnc4)cc32)cc1
InChIInChI=1S/2C25H25N5O.C24H24N6O.C20H15N3O.C19H14N2O2.C17H14N4/c31-25(17-29-14-2-1-3-15-29)28-21-5-7-22(8-6-21)30-18-27-23-9-4-20(16-24(23)30)19-10-12-26-13-11-19;31-25(17-29-13-2-1-3-14-29)28-21-7-9-22(10-8-21)30-18-27-23-11-6-19(15-24(23)30)20-5-4-12-26-16-20;31-24(15-29-10-2-1-3-11-29)28-20-5-7-21(8-6-20)30-17-27-22-9-4-18(12-23(22)30)19-13-25-16-26-14-19;1-14(24)15-2-5-18(6-3-15)23-13-22-19-7-4-17(12-20(19)23)16-8-10-21-11-9-16;1-13(22)14-2-5-17(6-3-14)21-12-20-18-7-4-15(10-19(18)21)16-8-9-23-11-16;1-12-2-5-15(6-3-12)21-11-18-16-7-4-13(8-17(16)21)14-9-19-20-10-14/h4-13,16,18H,1-3,14-15,17H2,(H,28,31);4-12,15-16,18H,1-3,13-14,17H2,(H,28,31);4-9,12-14,16-17H,1-3,10-11,15H2,(H,28,31);2-13H,1H3;2-12H,1H3;2-11H,1H3,(H,19,20)
InChIKeyBASUJUIMUDXNPF-UHFFFAOYSA-N
XLogP25.43
TPSA344.35 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002125.53
LogP ≤ 525.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone (CID 157290419) is 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone is CC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.CC(=O)c1ccc(-n2cnc3ccc(-c4ccoc4)cc32)cc1.Cc1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cccnc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cncnc4)cc32)cc1.
What is the InChIKey of 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone?
The InChIKey is BASUJUIMUDXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25N5O.C24H24N6O.C20H15N3O.C19H14N2O2.C17H14N4/c31-25(17-29-14-2-1-3-15-29)28-21-5-7-22(8-6-21)30-18-27-23-9-4-20(16-24(23)30)19-10-12-26-13-11-19;31-25(17-29-13-2-1-3-14-29)28-21-7-9-22(10-8-21)30-18-27-23-11-6-19(15-24(23)30)20-5-4-12-26-16-20;31-24(15-29-10-2-1-3-11-29)28-20-5-7-21(8-6-20)30-17-27-22-9-4-18(12-23(22)30)19-13-25-16-26-14-19;1-14(24)15-2-5-18(6-3-15)23-13-22-19-7-4-17(12-20(19)23)16-8-10-21-11-9-16;1-13(22)14-2-5-17(6-3-14)21-12-20-18-7-4-15(10-19(18)21)16-8-9-23-11-16;1-12-2-5-15(6-3-12)21-11-18-16-7-4-13(8-17(16)21)14-9-19-20-10-14/h4-13,16,18H,1-3,14-15,17H2,(H,28,31);4-12,15-16,18H,1-3,13-14,17H2,(H,28,31);4-9,12-14,16-17H,1-3,10-11,15H2,(H,28,31);2-13H,1H3;2-12H,1H3;2-11H,1H3,(H,19,20).
What are the key properties of 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone?
1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone has a molecular weight of 2125.53 g/mol, XLogP of 25.43, 23 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 157290419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).