1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide

C24H29BrN4O — CID 124823860

IUPAC1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H29BrN4O/c1-2-3-14-26-24(30)18-12-15-28(16-13-18)17-23-27-21-6-4-5-7-22(21)29(23)20-10-8-19(25)9-11-20/h4-11,18H,2-3,12-17H2,1H3,(H,26,30)
InChIKeyLIXPCQQBCAXWLE-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.92
Rot. Bonds7

About 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide

1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide (PubChem CID 124823860) has the molecular formula C24H29BrN4O and a molecular weight of 469.43 g/mol. Its IUPAC name is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
PubChem CID124823860
Molecular FormulaC24H29BrN4O
Molecular Weight469.43 g/mol
Exact Mass468.15
IUPAC Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H29BrN4O/c1-2-3-14-26-24(30)18-12-15-28(16-13-18)17-23-27-21-6-4-5-7-22(21)29(23)20-10-8-19(25)9-11-20/h4-11,18H,2-3,12-17H2,1H3,(H,26,30)
InChIKeyLIXPCQQBCAXWLE-UHFFFAOYSA-N
XLogP4.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 124805858
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 124811516
N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide
CID 124824843
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 124786939
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124792119
N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124781900
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
CID 124825837
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-3-carboxamide
CID 124823906
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 124814031

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide (CID 124823860) is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide?
The InChIKey is LIXPCQQBCAXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O/c1-2-3-14-26-24(30)18-12-15-28(16-13-18)17-23-27-21-6-4-5-7-22(21)29(23)20-10-8-19(25)9-11-20/h4-11,18H,2-3,12-17H2,1H3,(H,26,30).
What are the key properties of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide?
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 124823860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).