(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone

C24H22N4O — CID 44565635

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESC1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C5=CC=CC=N5
InChIInChI=1S/C24H22N4O/c29-24(19-10-8-17(9-11-19)20-5-3-4-14-25-20)28-15-12-18(13-16-28)23-26-21-6-1-2-7-22(21)27-23/h1-11,14,18H,12-13,15-16H2,(H,26,27)
InChIKeyJVMOBZQNGJAHPD-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.80
Rot. Bonds3

About (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone

(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone (PubChem CID 44565635) has the molecular formula C24H22N4O and a molecular weight of 382.50 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone
PubChem CID44565635
Molecular FormulaC24H22N4O
Molecular Weight382.50 g/mol
Exact Mass382.18
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESC1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C5=CC=CC=N5
InChIInChI=1S/C24H22N4O/c29-24(19-10-8-17(9-11-19)20-5-3-4-14-25-20)28-15-12-18(13-16-28)23-26-21-6-1-2-7-22(21)27-23/h1-11,14,18H,12-13,15-16H2,(H,26,27)
InChIKeyJVMOBZQNGJAHPD-UHFFFAOYSA-N
XLogP3.80
TPSA61.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity553

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone?
The IUPAC name of (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone (CID 44565635) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone?
The canonical SMILES for (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone is C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C5=CC=CC=N5.
What is the InChIKey of (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone?
The InChIKey is JVMOBZQNGJAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(19-10-8-17(9-11-19)20-5-3-4-14-25-20)28-15-12-18(13-16-28)23-26-21-6-1-2-7-22(21)27-23/h1-11,14,18H,12-13,15-16H2,(H,26,27).
What are the key properties of (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone?
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone has a molecular weight of 382.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-(pyridin-2-yl)phenyl)methanone is sourced from PubChem (CID 44565635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).