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

C26H25N3O — CID 44565846

IUPAC[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H25N3O/c30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25/h1-13,19H,14-18H2,(H,27,28)
InChIKeyQRNIQBUVEAFDFW-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.32
Rot. Bonds4

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

[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 44565846) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID44565846
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H25N3O/c30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25/h1-13,19H,14-18H2,(H,27,28)
InChIKeyQRNIQBUVEAFDFW-UHFFFAOYSA-N
XLogP5.32
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 44565846) is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is QRNIQBUVEAFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25/h1-13,19H,14-18H2,(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 395.51 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 44565846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).