[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone

C73H63F4N9O3S — CID 87403409

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3cc(F)c(F)cc3[nH]2)CC1.O=C(c1ccc(-c2cccs2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/2C25H21F2N3O.C23H21N3OS/c26-20-7-5-17(6-8-20)16-1-3-19(4-2-16)25(31)30-13-11-18(12-14-30)24-28-22-10-9-21(27)15-23(22)29-24;26-20-14-22-23(15-21(20)27)29-24(28-22)18-10-12-30(13-11-18)25(31)19-8-6-17(7-9-19)16-4-2-1-3-5-16;27-23(18-9-7-16(8-10-18)21-6-3-15-28-21)26-13-11-17(12-14-26)22-24-19-4-1-2-5-20(19)25-22/h1-10,15,18H,11-14H2,(H,28,29);1-9,14-15,18H,10-13H2,(H,28,29);1-10,15,17H,11-14H2,(H,24,25)
InChIKeyWGJUJAONHCIFMH-UHFFFAOYSA-N
MW1222.43 g/mol
LogP16.37
Rot. Bonds9

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone (PubChem CID 87403409) has the molecular formula C73H63F4N9O3S and a molecular weight of 1222.43 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone
PubChem CID87403409
Molecular FormulaC73H63F4N9O3S
Molecular Weight1222.43 g/mol
Exact Mass1221.47
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3cc(F)c(F)cc3[nH]2)CC1.O=C(c1ccc(-c2cccs2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/2C25H21F2N3O.C23H21N3OS/c26-20-7-5-17(6-8-20)16-1-3-19(4-2-16)25(31)30-13-11-18(12-14-30)24-28-22-10-9-21(27)15-23(22)29-24;26-20-14-22-23(15-21(20)27)29-24(28-22)18-10-12-30(13-11-18)25(31)19-8-6-17(7-9-19)16-4-2-1-3-5-16;27-23(18-9-7-16(8-10-18)21-6-3-15-28-21)26-13-11-17(12-14-26)22-24-19-4-1-2-5-20(19)25-22/h1-10,15,18H,11-14H2,(H,28,29);1-9,14-15,18H,10-13H2,(H,28,29);1-10,15,17H,11-14H2,(H,24,25)
InChIKeyWGJUJAONHCIFMH-UHFFFAOYSA-N
XLogP16.37
TPSA146.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001222.43
LogP ≤ 516.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)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-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone (CID 87403409) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone is O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3cc(F)c(F)cc3[nH]2)CC1.O=C(c1ccc(-c2cccs2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone?
The InChIKey is WGJUJAONHCIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21F2N3O.C23H21N3OS/c26-20-7-5-17(6-8-20)16-1-3-19(4-2-16)25(31)30-13-11-18(12-14-30)24-28-22-10-9-21(27)15-23(22)29-24;26-20-14-22-23(15-21(20)27)29-24(28-22)18-10-12-30(13-11-18)25(31)19-8-6-17(7-9-19)16-4-2-1-3-5-16;27-23(18-9-7-16(8-10-18)21-6-3-15-28-21)26-13-11-17(12-14-26)22-24-19-4-1-2-5-20(19)25-22/h1-10,15,18H,11-14H2,(H,28,29);1-9,14-15,18H,10-13H2,(H,28,29);1-10,15,17H,11-14H2,(H,24,25).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone has a molecular weight of 1222.43 g/mol, XLogP of 16.37, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 87403409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).