5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole

C23H25ClN2 — CID 70483108

IUPAC5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESClc1ccc2[nH]ccc2c1CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H25ClN2/c24-22-9-10-23-21(11-14-25-23)20(22)8-4-5-15-26-16-12-19(13-17-26)18-6-2-1-3-7-18/h1-3,6-7,9-12,14,25H,4-5,8,13,15-17H2
InChIKeyDEUHMVIOFLAEFR-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.93
Rot. Bonds6

About 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole

5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (PubChem CID 70483108) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
PubChem CID70483108
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESClc1ccc2[nH]ccc2c1CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H25ClN2/c24-22-9-10-23-21(11-14-25-23)20(22)8-4-5-15-26-16-12-19(13-17-26)18-6-2-1-3-7-18/h1-3,6-7,9-12,14,25H,4-5,8,13,15-17H2
InChIKeyDEUHMVIOFLAEFR-UHFFFAOYSA-N
XLogP5.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The IUPAC name of 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (CID 70483108) is 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.
What is the SMILES notation for 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The canonical SMILES for 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is Clc1ccc2[nH]ccc2c1CCCCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The InChIKey is DEUHMVIOFLAEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/c24-22-9-10-23-21(11-14-25-23)20(22)8-4-5-15-26-16-12-19(13-17-26)18-6-2-1-3-7-18/h1-3,6-7,9-12,14,25H,4-5,8,13,15-17H2.
What are the key properties of 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole has a molecular weight of 364.92 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is sourced from PubChem (CID 70483108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).