3-(N-p-Chlorophenylformimidoyl)indole

C15H11ClN2 — CID 31165

IUPACN-(4-chlorophenyl)-1-(1H-indol-3-yl)methanimine
SMILESC1=CC=C2C(=C1)C(=CN2)C=NC3=CC=C(C=C3)Cl
InChIInChI=1S/C15H11ClN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-10,18H
InChIKeyOOQDVATVUWHSHC-UHFFFAOYSA-N
MW254.71 g/mol
LogP4.10
Rot. Bonds2

About 3-(N-p-Chlorophenylformimidoyl)indole

3-(N-p-Chlorophenylformimidoyl)indole (PubChem CID 31165) has the molecular formula C15H11ClN2 and a molecular weight of 254.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1H-indol-3-yl)methanimine.

Molecular Properties

Compound Name3-(N-p-Chlorophenylformimidoyl)indole
PubChem CID31165
Molecular FormulaC15H11ClN2
Molecular Weight254.71 g/mol
Exact Mass254.06
IUPAC NameN-(4-chlorophenyl)-1-(1H-indol-3-yl)methanimine
SMILESC1=CC=C2C(=C1)C(=CN2)C=NC3=CC=C(C=C3)Cl
InChIInChI=1S/C15H11ClN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-10,18H
InChIKeyOOQDVATVUWHSHC-UHFFFAOYSA-N
XLogP4.10
TPSA28.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity297

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(N-p-Chlorophenylformimidoyl)indole?
The IUPAC name of 3-(N-p-Chlorophenylformimidoyl)indole (CID 31165) is N-(4-chlorophenyl)-1-(1H-indol-3-yl)methanimine.
What is the SMILES notation for 3-(N-p-Chlorophenylformimidoyl)indole?
The canonical SMILES for 3-(N-p-Chlorophenylformimidoyl)indole is C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=C(C=C3)Cl.
What is the InChIKey of 3-(N-p-Chlorophenylformimidoyl)indole?
The InChIKey is OOQDVATVUWHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-10,18H.
What are the key properties of 3-(N-p-Chlorophenylformimidoyl)indole?
3-(N-p-Chlorophenylformimidoyl)indole has a molecular weight of 254.71 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-p-Chlorophenylformimidoyl)indole is sourced from PubChem (CID 31165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).