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

C25H23N3O — CID 16812804

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H23N3O/c29-25(21-12-10-19(11-13-21)18-6-2-1-3-7-18)28-16-14-20(15-17-28)24-26-22-8-4-5-9-23(22)27-24/h1-13,20H,14-17H2,(H,26,27)
InChIKeyOBJJVUGFHYOBAP-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.25
Rot. Bonds3

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

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 16812804) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID16812804
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H23N3O/c29-25(21-12-10-19(11-13-21)18-6-2-1-3-7-18)28-16-14-20(15-17-28)24-26-22-8-4-5-9-23(22)27-24/h1-13,20H,14-17H2,(H,26,27)
InChIKeyOBJJVUGFHYOBAP-UHFFFAOYSA-N
XLogP5.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.25
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-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 16812804) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is OBJJVUGFHYOBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(21-12-10-19(11-13-21)18-6-2-1-3-7-18)28-16-14-20(15-17-28)24-26-22-8-4-5-9-23(22)27-24/h1-13,20H,14-17H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 381.48 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 16812804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).