[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone

C24H22N4O — CID 44565827

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H22N4O/c29-24(22-11-10-19(16-25-22)17-6-2-1-3-7-17)28-14-12-18(13-15-28)23-26-20-8-4-5-9-21(20)27-23/h1-11,16,18H,12-15H2,(H,26,27)
InChIKeyXLAQCDVBVVLGIG-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.64
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone (PubChem CID 44565827) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
PubChem CID44565827
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H22N4O/c29-24(22-11-10-19(16-25-22)17-6-2-1-3-7-17)28-14-12-18(13-15-28)23-26-20-8-4-5-9-21(20)27-23/h1-11,16,18H,12-15H2,(H,26,27)
InChIKeyXLAQCDVBVVLGIG-UHFFFAOYSA-N
XLogP4.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.64
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]-(5-phenyl-2-pyridinyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone (CID 44565827) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone is O=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone?
The InChIKey is XLAQCDVBVVLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(22-11-10-19(16-25-22)17-6-2-1-3-7-17)28-14-12-18(13-15-28)23-26-20-8-4-5-9-21(20)27-23/h1-11,16,18H,12-15H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone has a molecular weight of 382.47 g/mol, XLogP of 4.64, 3 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]-(5-phenyl-2-pyridinyl)methanone is sourced from PubChem (CID 44565827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).