[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile

C70H66F2N10O3 — CID 87399322

IUPAC[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc2)cc1.O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C26H24FN3O.C22H22FN3O.C22H20N4O/c27-22-6-2-1-5-21(22)19-9-11-20(12-10-19)26(31)30-15-13-18(14-16-30)17-25-28-23-7-3-4-8-24(23)29-25;23-20-4-2-1-3-19(20)17-5-7-18(8-6-17)22(27)26-13-9-16(10-14-26)15-21-24-11-12-25-21;23-15-16-1-3-17(4-2-16)18-5-7-20(8-6-18)22(27)26-13-9-19(10-14-26)21-24-11-12-25-21/h1-12,18H,13-17H2,(H,28,29);1-8,11-12,16H,9-10,13-15H2,(H,24,25);1-8,11-12,19H,9-10,13-14H2,(H,24,25)
InChIKeySVVORQGEROJKHK-UHFFFAOYSA-N
MW1133.36 g/mol
LogP13.74
Rot. Bonds11

About [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile

[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile (PubChem CID 87399322) has the molecular formula C70H66F2N10O3 and a molecular weight of 1133.36 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile
PubChem CID87399322
Molecular FormulaC70H66F2N10O3
Molecular Weight1133.36 g/mol
Exact Mass1132.53
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc2)cc1.O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C26H24FN3O.C22H22FN3O.C22H20N4O/c27-22-6-2-1-5-21(22)19-9-11-20(12-10-19)26(31)30-15-13-18(14-16-30)17-25-28-23-7-3-4-8-24(23)29-25;23-20-4-2-1-3-19(20)17-5-7-18(8-6-17)22(27)26-13-9-16(10-14-26)15-21-24-11-12-25-21;23-15-16-1-3-17(4-2-16)18-5-7-20(8-6-18)22(27)26-13-9-19(10-14-26)21-24-11-12-25-21/h1-12,18H,13-17H2,(H,28,29);1-8,11-12,16H,9-10,13-15H2,(H,24,25);1-8,11-12,19H,9-10,13-14H2,(H,24,25)
InChIKeySVVORQGEROJKHK-UHFFFAOYSA-N
XLogP13.74
TPSA170.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.36
LogP ≤ 513.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile (CID 87399322) is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc2)cc1.O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(Cc2ncc[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile?
The InChIKey is SVVORQGEROJKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O.C22H22FN3O.C22H20N4O/c27-22-6-2-1-5-21(22)19-9-11-20(12-10-19)26(31)30-15-13-18(14-16-30)17-25-28-23-7-3-4-8-24(23)29-25;23-20-4-2-1-3-19(20)17-5-7-18(8-6-17)22(27)26-13-9-16(10-14-26)15-21-24-11-12-25-21;23-15-16-1-3-17(4-2-16)18-5-7-20(8-6-18)22(27)26-13-9-19(10-14-26)21-24-11-12-25-21/h1-12,18H,13-17H2,(H,28,29);1-8,11-12,16H,9-10,13-15H2,(H,24,25);1-8,11-12,19H,9-10,13-14H2,(H,24,25).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile?
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile has a molecular weight of 1133.36 g/mol, XLogP of 13.74, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile is sourced from PubChem (CID 87399322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).