1-[(2-chlorophenyl)-indol-1-ylmethyl]indole

C23H17ClN2 — CID 134133187

IUPAC1-[(2-chlorophenyl)-indol-1-ylmethyl]indole
SMILESClc1ccccc1C(n1ccc2ccccc21)n1ccc2ccccc21
InChIInChI=1S/C23H17ClN2/c24-20-10-4-3-9-19(20)23(25-15-13-17-7-1-5-11-21(17)25)26-16-14-18-8-2-6-12-22(18)26/h1-16,23H
InChIKeyBHPUICSWNODXHH-UHFFFAOYSA-N
MW356.86 g/mol
LogP6.34
Rot. Bonds3

About 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole

1-[(2-chlorophenyl)-indol-1-ylmethyl]indole (PubChem CID 134133187) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-indol-1-ylmethyl]indole
PubChem CID134133187
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name1-[(2-chlorophenyl)-indol-1-ylmethyl]indole
SMILESClc1ccccc1C(n1ccc2ccccc21)n1ccc2ccccc21
InChIInChI=1S/C23H17ClN2/c24-20-10-4-3-9-19(20)23(25-15-13-17-7-1-5-11-21(17)25)26-16-14-18-8-2-6-12-22(18)26/h1-16,23H
InChIKeyBHPUICSWNODXHH-UHFFFAOYSA-N
XLogP6.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole?
The IUPAC name of 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole (CID 134133187) is 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole.
What is the SMILES notation for 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole?
The canonical SMILES for 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole is Clc1ccccc1C(n1ccc2ccccc21)n1ccc2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole?
The InChIKey is BHPUICSWNODXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2/c24-20-10-4-3-9-19(20)23(25-15-13-17-7-1-5-11-21(17)25)26-16-14-18-8-2-6-12-22(18)26/h1-16,23H.
What are the key properties of 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole?
1-[(2-chlorophenyl)-indol-1-ylmethyl]indole has a molecular weight of 356.86 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-indol-1-ylmethyl]indole is sourced from PubChem (CID 134133187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).