2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile

C20H19ClN4 — CID 10498094

IUPAC2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cc2c1
InChIInChI=1S/C20H19ClN4/c21-18-3-1-2-4-20(18)25-9-7-24(8-10-25)14-17-12-16-11-15(13-22)5-6-19(16)23-17/h1-6,11-12,23H,7-10,14H2
InChIKeyRALJYNLSBJABSL-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.02
Rot. Bonds3

About 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile (PubChem CID 10498094) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
PubChem CID10498094
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cc2c1
InChIInChI=1S/C20H19ClN4/c21-18-3-1-2-4-20(18)25-9-7-24(8-10-25)14-17-12-16-11-15(13-22)5-6-19(16)23-17/h1-6,11-12,23H,7-10,14H2
InChIKeyRALJYNLSBJABSL-UHFFFAOYSA-N
XLogP4.02
TPSA46.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile (CID 10498094) is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cc2c1.
What is the InChIKey of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
The InChIKey is RALJYNLSBJABSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-18-3-1-2-4-20(18)25-9-7-24(8-10-25)14-17-12-16-11-15(13-22)5-6-19(16)23-17/h1-6,11-12,23H,7-10,14H2.
What are the key properties of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile has a molecular weight of 350.85 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10498094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).