N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

C27H27BrN4O — CID 124781900

IUPACN-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1
InChIInChI=1S/C27H27BrN4O/c28-22-9-6-10-23(17-22)32-25-12-5-4-11-24(25)30-26(32)19-31-15-13-21(14-16-31)27(33)29-18-20-7-2-1-3-8-20/h1-12,17,21H,13-16,18-19H2,(H,29,33)
InChIKeyNDZAGCNQGFUANL-UHFFFAOYSA-N
MW503.44 g/mol
LogP5.32
Rot. Bonds6

About N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 124781900) has the molecular formula C27H27BrN4O and a molecular weight of 503.44 g/mol. Its IUPAC name is N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID124781900
Molecular FormulaC27H27BrN4O
Molecular Weight503.44 g/mol
Exact Mass502.14
IUPAC NameN-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1
InChIInChI=1S/C27H27BrN4O/c28-22-9-6-10-23(17-22)32-25-12-5-4-11-24(25)30-26(32)19-31-15-13-21(14-16-31)27(33)29-18-20-7-2-1-3-8-20/h1-12,17,21H,13-16,18-19H2,(H,29,33)
InChIKeyNDZAGCNQGFUANL-UHFFFAOYSA-N
XLogP5.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631
(3S)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 124813415
N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 124794466
(4-benzoylpiperazin-1-yl)-[1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124787780
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]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 124811516
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
CID 124825837
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
CID 124823860
(3S)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 124785962
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124809772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (CID 124781900) is N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1.
What is the InChIKey of N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NDZAGCNQGFUANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN4O/c28-22-9-6-10-23(17-22)32-25-12-5-4-11-24(25)30-26(32)19-31-15-13-21(14-16-31)27(33)29-18-20-7-2-1-3-8-20/h1-12,17,21H,13-16,18-19H2,(H,29,33).
What are the key properties of N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 503.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124781900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).