[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone

C74H66F2N10O3 — CID 87399981

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/2C25H22FN3O.C24H22N4O/c26-21-5-3-4-20(16-21)17-8-10-19(11-9-17)25(30)29-14-12-18(13-15-29)24-27-22-6-1-2-7-23(22)28-24;26-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(30)29-15-13-19(14-16-29)24-27-22-3-1-2-4-23(22)28-24;29-24(19-9-7-17(8-10-19)20-4-3-13-25-16-20)28-14-11-18(12-15-28)23-26-21-5-1-2-6-22(21)27-23/h1-11,16,18H,12-15H2,(H,27,28);1-12,19H,13-16H2,(H,27,28);1-10,13,16,18H,11-12,14-15H2,(H,26,27)
InChIKeyOBDKEWHYINVONA-UHFFFAOYSA-N
MW1181.41 g/mol
LogP15.42
Rot. Bonds9

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone (PubChem CID 87399981) has the molecular formula C74H66F2N10O3 and a molecular weight of 1181.41 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone
PubChem CID87399981
Molecular FormulaC74H66F2N10O3
Molecular Weight1181.41 g/mol
Exact Mass1180.53
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/2C25H22FN3O.C24H22N4O/c26-21-5-3-4-20(16-21)17-8-10-19(11-9-17)25(30)29-14-12-18(13-15-29)24-27-22-6-1-2-7-23(22)28-24;26-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(30)29-15-13-19(14-16-29)24-27-22-3-1-2-4-23(22)28-24;29-24(19-9-7-17(8-10-19)20-4-3-13-25-16-20)28-14-11-18(12-15-28)23-26-21-5-1-2-6-22(21)27-23/h1-11,16,18H,12-15H2,(H,27,28);1-12,19H,13-16H2,(H,27,28);1-10,13,16,18H,11-12,14-15H2,(H,26,27)
InChIKeyOBDKEWHYINVONA-UHFFFAOYSA-N
XLogP15.42
TPSA159.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.41
LogP ≤ 515.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)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-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone (CID 87399981) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone is O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The InChIKey is OBDKEWHYINVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22FN3O.C24H22N4O/c26-21-5-3-4-20(16-21)17-8-10-19(11-9-17)25(30)29-14-12-18(13-15-29)24-27-22-6-1-2-7-23(22)28-24;26-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(30)29-15-13-19(14-16-29)24-27-22-3-1-2-4-23(22)28-24;29-24(19-9-7-17(8-10-19)20-4-3-13-25-16-20)28-14-11-18(12-15-28)23-26-21-5-1-2-6-22(21)27-23/h1-11,16,18H,12-15H2,(H,27,28);1-12,19H,13-16H2,(H,27,28);1-10,13,16,18H,11-12,14-15H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone has a molecular weight of 1181.41 g/mol, XLogP of 15.42, 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-(3-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 87399981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).