[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

C27H24Cl3N3O — CID 155568608

IUPAC[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H24Cl3N3O/c28-22-5-1-19(2-6-22)17-31-11-13-32(14-12-31)27(34)26-16-21-15-24(30)9-10-25(21)33(26)18-20-3-7-23(29)8-4-20/h1-10,15-16H,11-14,17-18H2
InChIKeySYSVNAHCFMMHPH-UHFFFAOYSA-N
MW512.87 g/mol
LogP6.61
Rot. Bonds5

About [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 155568608) has the molecular formula C27H24Cl3N3O and a molecular weight of 512.87 g/mol. Its IUPAC name is [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID155568608
Molecular FormulaC27H24Cl3N3O
Molecular Weight512.87 g/mol
Exact Mass511.10
IUPAC Name[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H24Cl3N3O/c28-22-5-1-19(2-6-22)17-31-11-13-32(14-12-31)27(34)26-16-21-15-24(30)9-10-25(21)33(26)18-20-3-7-23(29)8-4-20/h1-10,15-16H,11-14,17-18H2
InChIKeySYSVNAHCFMMHPH-UHFFFAOYSA-N
XLogP6.61
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.87
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
CID 91635112
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 19479124
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 141247478
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26756608
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 86781778
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
CID 91635115

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 155568608) is [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is SYSVNAHCFMMHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl3N3O/c28-22-5-1-19(2-6-22)17-31-11-13-32(14-12-31)27(34)26-16-21-15-24(30)9-10-25(21)33(26)18-20-3-7-23(29)8-4-20/h1-10,15-16H,11-14,17-18H2.
What are the key properties of [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 512.87 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155568608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).