[4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

C24H28N4O — CID 25031337

IUPAC[4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cc2nc3ccccc3[nH]2)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C24H28N4O/c29-24(28-15-12-20(17-28)27-13-4-1-5-14-27)19-10-8-18(9-11-19)16-23-25-21-6-2-3-7-22(21)26-23/h2-3,6-11,20H,1,4-5,12-17H2,(H,25,26)
InChIKeyCHXYRVONIWLABP-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.85
Rot. Bonds4

About [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

[4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 25031337) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID25031337
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cc2nc3ccccc3[nH]2)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C24H28N4O/c29-24(28-15-12-20(17-28)27-13-4-1-5-14-27)19-10-8-18(9-11-19)16-23-25-21-6-2-3-7-22(21)26-23/h2-3,6-11,20H,1,4-5,12-17H2,(H,25,26)
InChIKeyCHXYRVONIWLABP-UHFFFAOYSA-N
XLogP3.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (CID 25031337) is [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Cc2nc3ccccc3[nH]2)cc1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is CHXYRVONIWLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(28-15-12-20(17-28)27-13-4-1-5-14-27)19-10-8-18(9-11-19)16-23-25-21-6-2-3-7-22(21)26-23/h2-3,6-11,20H,1,4-5,12-17H2,(H,25,26).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
[4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 25031337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).