[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C30H32BrN5O — CID 124792119

IUPAC[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C30H32BrN5O/c31-24-10-12-26(13-11-24)36-28-9-5-4-8-27(28)32-29(36)22-33-16-14-23(15-17-33)30(37)35-20-18-34(19-21-35)25-6-2-1-3-7-25/h1-13,23H,14-22H2
InChIKeyISEIRTRRRCYMTK-UHFFFAOYSA-N
MW558.52 g/mol
LogP5.35
Rot. Bonds5

About [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 124792119) has the molecular formula C30H32BrN5O and a molecular weight of 558.52 g/mol. Its IUPAC name is [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID124792119
Molecular FormulaC30H32BrN5O
Molecular Weight558.52 g/mol
Exact Mass557.18
IUPAC Name[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C30H32BrN5O/c31-24-10-12-26(13-11-24)36-28-9-5-4-8-27(28)32-29(36)22-33-16-14-23(15-17-33)30(37)35-20-18-34(19-21-35)25-6-2-1-3-7-25/h1-13,23H,14-22H2
InChIKeyISEIRTRRRCYMTK-UHFFFAOYSA-N
XLogP5.35
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124818740
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
[(3S)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(4-ethylphenyl)piperazin-1-yl]methanone
CID 124835406
(4-benzoylpiperazin-1-yl)-[1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124787780
[(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 124835719
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
[(3S)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 124818490
(4-benzoylpiperazin-1-yl)-[(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124801387
[(3S)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 124791223
[(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 124835639
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

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 124792119) is [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ISEIRTRRRCYMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32BrN5O/c31-24-10-12-26(13-11-24)36-28-9-5-4-8-27(28)32-29(36)22-33-16-14-23(15-17-33)30(37)35-20-18-34(19-21-35)25-6-2-1-3-7-25/h1-13,23H,14-22H2.
What are the key properties of [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 558.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 124792119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).