2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole

C23H17ClN2 — CID 132599095

IUPAC2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole
SMILESClc1ccccc1C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H17ClN2/c24-18-10-4-3-9-17(18)23(21-13-15-7-1-5-11-19(15)25-21)22-14-16-8-2-6-12-20(16)26-22/h1-14,23,25-26H
InChIKeyFHKLYKOPOPWFQK-UHFFFAOYSA-N
MW356.86 g/mol
LogP6.48
Rot. Bonds3

About 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole

2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole (PubChem CID 132599095) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole
PubChem CID132599095
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole
SMILESClc1ccccc1C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H17ClN2/c24-18-10-4-3-9-17(18)23(21-13-15-7-1-5-11-19(15)25-21)22-14-16-8-2-6-12-20(16)26-22/h1-14,23,25-26H
InChIKeyFHKLYKOPOPWFQK-UHFFFAOYSA-N
XLogP6.48
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1H-indol-2-yl)propanal
CID 88965178
1-(1H-indol-2-yl)prop-2-yn-1-ol
CID 172559122
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
2-(1H-indol-2-yl)-3-methylbutanenitrile
CID 15013805
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
2-(1H-indol-2-yl)but-3-enenitrile
CID 69178229
2-hydroxy-2-(1H-indol-2-yl)acetonitrile
CID 84654386
2-(1-methylsulfonylethyl)-1H-indole
CID 173051925
2-amino-1-(1H-indol-2-yl)ethanol
CID 82599143
2-(1-piperidin-1-ylprop-2-enyl)-1H-indole
CID 67660412
1-benzhydryl-2-chlorobenzene;methane
CID 159179204

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole?
The IUPAC name of 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole (CID 132599095) is 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole.
What is the SMILES notation for 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole?
The canonical SMILES for 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole is Clc1ccccc1C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole?
The InChIKey is FHKLYKOPOPWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2/c24-18-10-4-3-9-17(18)23(21-13-15-7-1-5-11-19(15)25-21)22-14-16-8-2-6-12-20(16)26-22/h1-14,23,25-26H.
What are the key properties of 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole?
2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole has a molecular weight of 356.86 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole is sourced from PubChem (CID 132599095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).