[4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

C51H48N6O4 — CID 161123647

IUPAC[4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1ccc2nc(C3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)[nH]c2c1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C26H25N3O2.C25H23N3O2/c1-31-22-11-12-23-24(17-22)28-25(27-23)20-13-15-29(16-14-20)26(30)21-9-7-19(8-10-21)18-5-3-2-4-6-18;29-21-10-11-22-23(16-21)27-24(26-22)19-12-14-28(15-13-19)25(30)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h2-12,17,20H,13-16H2,1H3,(H,27,28);1-11,16,19,29H,12-15H2,(H,26,27)
InChIKeyULGUJPDNPBXXOA-UHFFFAOYSA-N
MW808.98 g/mol
LogP10.21
Rot. Bonds7

About [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

[4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 161123647) has the molecular formula C51H48N6O4 and a molecular weight of 808.98 g/mol. Its IUPAC name is [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID161123647
Molecular FormulaC51H48N6O4
Molecular Weight808.98 g/mol
Exact Mass808.37
IUPAC Name[4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1ccc2nc(C3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)[nH]c2c1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C26H25N3O2.C25H23N3O2/c1-31-22-11-12-23-24(17-22)28-25(27-23)20-13-15-29(16-14-20)26(30)21-9-7-19(8-10-21)18-5-3-2-4-6-18;29-21-10-11-22-23(16-21)27-24(26-22)19-12-14-28(15-13-19)25(30)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h2-12,17,20H,13-16H2,1H3,(H,27,28);1-11,16,19,29H,12-15H2,(H,26,27)
InChIKeyULGUJPDNPBXXOA-UHFFFAOYSA-N
XLogP10.21
TPSA127.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.98
LogP ≤ 510.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone 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-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 161123647) is [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is COc1ccc2nc(C3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)[nH]c2c1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccc(O)cc3[nH]2)CC1.
What is the InChIKey of [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is ULGUJPDNPBXXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2.C25H23N3O2/c1-31-22-11-12-23-24(17-22)28-25(27-23)20-13-15-29(16-14-20)26(30)21-9-7-19(8-10-21)18-5-3-2-4-6-18;29-21-10-11-22-23(16-21)27-24(26-22)19-12-14-28(15-13-19)25(30)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h2-12,17,20H,13-16H2,1H3,(H,27,28);1-11,16,19,29H,12-15H2,(H,26,27).
What are the key properties of [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 808.98 g/mol, XLogP of 10.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-hydroxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-methoxy-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 161123647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).