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

C26H25N3O2 — CID 44565606

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone
SMILESCOc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H25N3O2/c1-31-24-17-20(18-7-3-2-4-8-18)11-12-21(24)26(30)29-15-13-19(14-16-29)25-27-22-9-5-6-10-23(22)28-25/h2-12,17,19H,13-16H2,1H3,(H,27,28)
InChIKeyZTDYQKUESCYGDA-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.26
Rot. Bonds4

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

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone (PubChem CID 44565606) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone
PubChem CID44565606
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone
SMILESCOc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H25N3O2/c1-31-24-17-20(18-7-3-2-4-8-18)11-12-21(24)26(30)29-15-13-19(14-16-29)25-27-22-9-5-6-10-23(22)28-25/h2-12,17,19H,13-16H2,1H3,(H,27,28)
InChIKeyZTDYQKUESCYGDA-UHFFFAOYSA-N
XLogP5.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone (CID 44565606) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone is COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone?
The InChIKey is ZTDYQKUESCYGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-31-24-17-20(18-7-3-2-4-8-18)11-12-21(24)26(30)29-15-13-19(14-16-29)25-27-22-9-5-6-10-23(22)28-25/h2-12,17,19H,13-16H2,1H3,(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone has a molecular weight of 411.51 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone is sourced from PubChem (CID 44565606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).