[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone

C28H33Cl2N5O2 — CID 124807147

IUPAC[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
SMILESCC(C)n1c(CN2CCC(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)CC2)nc2ccccc21
InChIInChI=1S/C28H33Cl2N5O2/c1-19(2)35-24-9-4-3-8-23(24)31-25(35)18-32-12-10-20(11-13-32)27(36)33-14-16-34(17-15-33)28(37)21-6-5-7-22(29)26(21)30/h3-9,19-20H,10-18H2,1-2H3
InChIKeyPZCUYXPAHXOPQH-UHFFFAOYSA-N
MW542.51 g/mol
LogP5.12
Rot. Bonds5

About [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone (PubChem CID 124807147) has the molecular formula C28H33Cl2N5O2 and a molecular weight of 542.51 g/mol. Its IUPAC name is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
PubChem CID124807147
Molecular FormulaC28H33Cl2N5O2
Molecular Weight542.51 g/mol
Exact Mass541.20
IUPAC Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
SMILESCC(C)n1c(CN2CCC(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)CC2)nc2ccccc21
InChIInChI=1S/C28H33Cl2N5O2/c1-19(2)35-24-9-4-3-8-23(24)31-25(35)18-32-12-10-20(11-13-32)27(36)33-14-16-34(17-15-33)28(37)21-6-5-7-22(29)26(21)30/h3-9,19-20H,10-18H2,1-2H3
InChIKeyPZCUYXPAHXOPQH-UHFFFAOYSA-N
XLogP5.12
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124805714
[4-(2-methylphenyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124814232
N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124821668
N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124822336
1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124798833
(4-butylpiperazin-1-yl)-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124822047
4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 125113468
[4-(2-ethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124821934
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124820810
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124805083

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone (CID 124807147) is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone is CC(C)n1c(CN2CCC(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)CC2)nc2ccccc21.
What is the InChIKey of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is PZCUYXPAHXOPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33Cl2N5O2/c1-19(2)35-24-9-4-3-8-23(24)31-25(35)18-32-12-10-20(11-13-32)27(36)33-14-16-34(17-15-33)28(37)21-6-5-7-22(29)26(21)30/h3-9,19-20H,10-18H2,1-2H3.
What are the key properties of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone?
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 542.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 124807147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).