N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C29H31BrN4O — CID 25116079

IUPACN-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Br)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H31BrN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
InChIKeyVGOMSEQXNMIQQZ-UHFFFAOYSA-N
MW531.50 g/mol
LogP6.69
Rot. Bonds7

About N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25116079) has the molecular formula C29H31BrN4O and a molecular weight of 531.50 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25116079
Molecular FormulaC29H31BrN4O
Molecular Weight531.50 g/mol
Exact Mass530.17
IUPAC NameN-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Br)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H31BrN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
InChIKeyVGOMSEQXNMIQQZ-UHFFFAOYSA-N
XLogP6.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.50
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide 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 N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25116079) is N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Br)cc4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is VGOMSEQXNMIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31BrN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 531.50 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[2-(4-bromophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25116079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).