3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole

C27H25BrN4 — CID 139991101

IUPAC3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole
SMILESBrc1ccc(-c2c(CN3CCN(c4cccc5[nH]ccc45)CC3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H25BrN4/c28-20-10-8-19(9-11-20)27-22-4-1-2-5-24(22)30-25(27)18-31-14-16-32(17-15-31)26-7-3-6-23-21(26)12-13-29-23/h1-13,29-30H,14-18H2
InChIKeyHLPQPTSENIOMCV-UHFFFAOYSA-N
MW485.43 g/mol
LogP6.40
Rot. Bonds4

About 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole

3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole (PubChem CID 139991101) has the molecular formula C27H25BrN4 and a molecular weight of 485.43 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole
PubChem CID139991101
Molecular FormulaC27H25BrN4
Molecular Weight485.43 g/mol
Exact Mass484.13
IUPAC Name3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole
SMILESBrc1ccc(-c2c(CN3CCN(c4cccc5[nH]ccc45)CC3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H25BrN4/c28-20-10-8-19(9-11-20)27-22-4-1-2-5-24(22)30-25(27)18-31-14-16-32(17-15-31)26-7-3-6-23-21(26)12-13-29-23/h1-13,29-30H,14-18H2
InChIKeyHLPQPTSENIOMCV-UHFFFAOYSA-N
XLogP6.40
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11609586
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Eudistomin U
CID 10334023
3-((4-benzylpiperazino)methyl)-1H-indole
CID 563075
3-[(4-Phenylpiperazino)methyl]-1h-indole
CID 233952
4-(4-Benzyl-piperazin-1-yl)-1H-indole
CID 2728532
5-[(3-Phenylphenyl)methyl]-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327262
1-Fluoro-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene
CID 365933
2-methyl-3-(pyridin-2-yl(pyrrolidin-1-yl)methyl)-1H-indole
CID 4524982
Plakortamine B
CID 10084660
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CID 2907031

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole (CID 139991101) is 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole is Brc1ccc(-c2c(CN3CCN(c4cccc5[nH]ccc45)CC3)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole?
The InChIKey is HLPQPTSENIOMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4/c28-20-10-8-19(9-11-20)27-22-4-1-2-5-24(22)30-25(27)18-31-14-16-32(17-15-31)26-7-3-6-23-21(26)12-13-29-23/h1-13,29-30H,14-18H2.
What are the key properties of 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole?
3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole has a molecular weight of 485.43 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 139991101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).