[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

C25H29Cl2N5O — CID 124808962

IUPAC[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCn1c(CN2CCC[C@@H](C(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)C2)nc2ccccc21
InChIInChI=1S/C25H29Cl2N5O/c1-29-22-7-3-2-6-21(22)28-24(29)17-30-10-4-5-18(16-30)25(33)32-13-11-31(12-14-32)23-15-19(26)8-9-20(23)27/h2-3,6-9,15,18H,4-5,10-14,16-17H2,1H3/t18-/m1/s1
InChIKeyKTWUIJKHBSQYSS-GOSISDBHSA-N
MW486.45 g/mol
LogP4.44
Rot. Bonds4

About [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 124808962) has the molecular formula C25H29Cl2N5O and a molecular weight of 486.45 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
PubChem CID124808962
Molecular FormulaC25H29Cl2N5O
Molecular Weight486.45 g/mol
Exact Mass485.17
IUPAC Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCn1c(CN2CCC[C@@H](C(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)C2)nc2ccccc21
InChIInChI=1S/C25H29Cl2N5O/c1-29-22-7-3-2-6-21(22)28-24(29)17-30-10-4-5-18(16-30)25(33)32-13-11-31(12-14-32)23-15-19(26)8-9-20(23)27/h2-3,6-9,15,18H,4-5,10-14,16-17H2,1H3/t18-/m1/s1
InChIKeyKTWUIJKHBSQYSS-GOSISDBHSA-N
XLogP4.44
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124830810
[(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2,5-dichlorophenyl)piperazin-1-yl]methanone
CID 124793127
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124815112
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124803223
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124785355
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 124809312
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124915363
[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 124814675
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831134
[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 124793639

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (CID 124808962) is [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is Cn1c(CN2CCC[C@@H](C(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)C2)nc2ccccc21.
What is the InChIKey of [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is KTWUIJKHBSQYSS-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29Cl2N5O/c1-29-22-7-3-2-6-21(22)28-24(29)17-30-10-4-5-18(16-30)25(33)32-13-11-31(12-14-32)23-15-19(26)8-9-20(23)27/h2-3,6-9,15,18H,4-5,10-14,16-17H2,1H3/t18-/m1/s1.
What are the key properties of [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 486.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 124808962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).