[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone

C24H22N4O — CID 44565634

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H22N4O/c29-24(19-9-7-17(8-10-19)20-4-3-13-25-16-20)28-14-11-18(12-15-28)23-26-21-5-1-2-6-22(21)27-23/h1-10,13,16,18H,11-12,14-15H2,(H,26,27)
InChIKeySMXWNGXKCXLZDS-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.64
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone (PubChem CID 44565634) 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]-(4-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone
PubChem CID44565634
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H22N4O/c29-24(19-9-7-17(8-10-19)20-4-3-13-25-16-20)28-14-11-18(12-15-28)23-26-21-5-1-2-6-22(21)27-23/h1-10,13,16,18H,11-12,14-15H2,(H,26,27)
InChIKeySMXWNGXKCXLZDS-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]-(4-pyridin-3-ylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone (CID 44565634) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone is O=C(c1ccc(-c2cccnc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The InChIKey is SMXWNGXKCXLZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(19-9-7-17(8-10-19)20-4-3-13-25-16-20)28-14-11-18(12-15-28)23-26-21-5-1-2-6-22(21)27-23/h1-10,13,16,18H,11-12,14-15H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-ylphenyl)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]-(4-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 44565634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).