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

C26H24BrFN4O — CID 124786939

IUPAC1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C26H24BrFN4O/c27-19-9-11-20(12-10-19)32-24-8-4-3-7-23(24)29-25(32)17-31-15-13-18(14-16-31)26(33)30-22-6-2-1-5-21(22)28/h1-12,18H,13-17H2,(H,30,33)
InChIKeyYYMVLCRDWXDZNY-UHFFFAOYSA-N
MW507.41 g/mol
LogP5.78
Rot. Bonds5

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

1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 124786939) has the molecular formula C26H24BrFN4O and a molecular weight of 507.41 g/mol. Its IUPAC name is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID124786939
Molecular FormulaC26H24BrFN4O
Molecular Weight507.41 g/mol
Exact Mass506.11
IUPAC Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C26H24BrFN4O/c27-19-9-11-20(12-10-19)32-24-8-4-3-7-23(24)29-25(32)17-31-15-13-18(14-16-31)26(33)30-22-6-2-1-5-21(22)28/h1-12,18H,13-17H2,(H,30,33)
InChIKeyYYMVLCRDWXDZNY-UHFFFAOYSA-N
XLogP5.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.41
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-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-propan-2-ylpiperidine-4-carboxamide
CID 124805858
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631
N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914150
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
CID 124823860
(3S)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 124785882
(3S)-N-(4-bromophenyl)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124786075
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124836000
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 124781245
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124792119
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 124794466
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 124811516

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide (CID 124786939) is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1F)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is YYMVLCRDWXDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN4O/c27-19-9-11-20(12-10-19)32-24-8-4-3-7-23(24)29-25(32)17-31-15-13-18(14-16-31)26(33)30-22-6-2-1-5-21(22)28/h1-12,18H,13-17H2,(H,30,33).
What are the key properties of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 507.41 g/mol, XLogP of 5.78, 5 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-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 124786939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).