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

C24H28N4O — CID 44565806

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H28N4O/c29-24(19-8-10-20(11-9-19)27-14-4-1-5-15-27)28-16-12-18(13-17-28)23-25-21-6-2-3-7-22(21)26-23/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,26)
InChIKeyQUCIVEDNOCKEPN-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.57
Rot. Bonds3

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

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone (PubChem CID 44565806) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
PubChem CID44565806
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H28N4O/c29-24(19-8-10-20(11-9-19)27-14-4-1-5-15-27)28-16-12-18(13-17-28)23-25-21-6-2-3-7-22(21)26-23/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,26)
InChIKeyQUCIVEDNOCKEPN-UHFFFAOYSA-N
XLogP4.57
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.57
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-piperidin-1-ylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone (CID 44565806) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone is O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone?
The InChIKey is QUCIVEDNOCKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(19-8-10-20(11-9-19)27-14-4-1-5-15-27)28-16-12-18(13-17-28)23-25-21-6-2-3-7-22(21)26-23/h2-3,6-11,18H,1,4-5,12-17H2,(H,25,26).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone has a molecular weight of 388.51 g/mol, XLogP of 4.57, 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-piperidin-1-ylphenyl)methanone is sourced from PubChem (CID 44565806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).