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

C27H26Br2N4O — CID 124781631

IUPAC1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C27H26Br2N4O/c28-21-7-5-19(6-8-21)17-30-27(34)20-13-15-32(16-14-20)18-26-31-24-3-1-2-4-25(24)33(26)23-11-9-22(29)10-12-23/h1-12,20H,13-18H2,(H,30,34)
InChIKeyKWUTZZLNNAQSNJ-UHFFFAOYSA-N
MW582.34 g/mol
LogP6.08
Rot. Bonds6

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

1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide (PubChem CID 124781631) has the molecular formula C27H26Br2N4O and a molecular weight of 582.34 g/mol. Its IUPAC name is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
PubChem CID124781631
Molecular FormulaC27H26Br2N4O
Molecular Weight582.34 g/mol
Exact Mass580.05
IUPAC Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C27H26Br2N4O/c28-21-7-5-19(6-8-21)17-30-27(34)20-13-15-32(16-14-20)18-26-31-24-3-1-2-4-25(24)33(26)23-11-9-22(29)10-12-23/h1-12,20H,13-18H2,(H,30,34)
InChIKeyKWUTZZLNNAQSNJ-UHFFFAOYSA-N
XLogP6.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.34
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124781900
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
CID 124823860
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 124814031
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 124781385
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-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
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 124786939
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782099
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124792119
(3S)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 124813415

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide (CID 124781631) is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Br)cc1)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KWUTZZLNNAQSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Br2N4O/c28-21-7-5-19(6-8-21)17-30-27(34)20-13-15-32(16-14-20)18-26-31-24-3-1-2-4-25(24)33(26)23-11-9-22(29)10-12-23/h1-12,20H,13-18H2,(H,30,34).
What are the key properties of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide?
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 582.34 g/mol, XLogP of 6.08, 6 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-[(4-bromophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124781631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).