1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide

C23H23BrN4O2S — CID 24571532

IUPAC1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CSc2nccn2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H23BrN4O2S/c24-18-6-8-20(9-7-18)28-15-12-25-23(28)31-16-21(29)27-13-10-17(11-14-27)22(30)26-19-4-2-1-3-5-19/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,30)
InChIKeyNTILNQKPSKBSJS-UHFFFAOYSA-N
MW499.43 g/mol
LogP4.60
Rot. Bonds6

About 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 24571532) has the molecular formula C23H23BrN4O2S and a molecular weight of 499.43 g/mol. Its IUPAC name is 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID24571532
Molecular FormulaC23H23BrN4O2S
Molecular Weight499.43 g/mol
Exact Mass498.07
IUPAC Name1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CSc2nccn2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H23BrN4O2S/c24-18-6-8-20(9-7-18)28-15-12-25-23(28)31-16-21(29)27-13-10-17(11-14-27)22(30)26-19-4-2-1-3-5-19/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,30)
InChIKeyNTILNQKPSKBSJS-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-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

2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 22108072
N-(1,3-benzodioxol-5-yl)-1-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 17474982
1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide
CID 46662453
methyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 40657969
N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 42041834
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734
1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
CID 36636052
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5071095
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880
1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 39754957

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide (CID 24571532) is 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nccn2-c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is NTILNQKPSKBSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O2S/c24-18-6-8-20(9-7-18)28-15-12-25-23(28)31-16-21(29)27-13-10-17(11-14-27)22(30)26-19-4-2-1-3-5-19/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,30).
What are the key properties of 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 499.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 24571532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).