[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone

C32H36ClN5O2 — CID 124793734

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(Cn2c(CN3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C32H36ClN5O2/c1-40-28-11-9-24(10-12-28)22-38-30-8-3-2-7-29(30)34-31(38)23-35-15-13-25(14-16-35)32(39)37-19-17-36(18-20-37)27-6-4-5-26(33)21-27/h2-12,21,25H,13-20,22-23H2,1H3
InChIKeyAYYOMEPAARTMFH-UHFFFAOYSA-N
MW558.13 g/mol
LogP5.31
Rot. Bonds7

About [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone (PubChem CID 124793734) has the molecular formula C32H36ClN5O2 and a molecular weight of 558.13 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
PubChem CID124793734
Molecular FormulaC32H36ClN5O2
Molecular Weight558.13 g/mol
Exact Mass557.26
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(Cn2c(CN3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C32H36ClN5O2/c1-40-28-11-9-24(10-12-28)22-38-30-8-3-2-7-29(30)34-31(38)23-35-15-13-25(14-16-35)32(39)37-19-17-36(18-20-37)27-6-4-5-26(33)21-27/h2-12,21,25H,13-20,22-23H2,1H3
InChIKeyAYYOMEPAARTMFH-UHFFFAOYSA-N
XLogP5.31
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.13
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124797684
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124798833
[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 124797078
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831134
N-(2,6-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124798205
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124815112
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914
[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124795518
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 100684966
(4-butylpiperazin-1-yl)-[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124824788
1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 124824584

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone (CID 124793734) is [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone is COc1ccc(Cn2c(CN3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)nc3ccccc32)cc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is AYYOMEPAARTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN5O2/c1-40-28-11-9-24(10-12-28)22-38-30-8-3-2-7-29(30)34-31(38)23-35-15-13-25(14-16-35)32(39)37-19-17-36(18-20-37)27-6-4-5-26(33)21-27/h2-12,21,25H,13-20,22-23H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 558.13 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 124793734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).