(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine

C32H21ClN4O — CID 135951794

IUPAC(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
SMILESClc1ccc(-c2[nH]c3ccccc3c2-c2coc(/N=C/c3c(-c4ccccc4)[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C32H21ClN4O/c33-22-16-14-21(15-17-22)31-29(24-11-5-7-13-27(24)36-31)28-19-38-32(37-28)34-18-25-23-10-4-6-12-26(23)35-30(25)20-8-2-1-3-9-20/h1-19,35-36H/b34-18+
InChIKeyYLRLWPMBYSLHIO-FABQOPTDSA-N
MW513.00 g/mol
LogP9.04
Rot. Bonds5

About (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine

(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine (PubChem CID 135951794) has the molecular formula C32H21ClN4O and a molecular weight of 513.00 g/mol. Its IUPAC name is (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
PubChem CID135951794
Molecular FormulaC32H21ClN4O
Molecular Weight513.00 g/mol
Exact Mass512.14
IUPAC Name(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
SMILESClc1ccc(-c2[nH]c3ccccc3c2-c2coc(/N=C/c3c(-c4ccccc4)[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C32H21ClN4O/c33-22-16-14-21(15-17-22)31-29(24-11-5-7-13-27(24)36-31)28-19-38-32(37-28)34-18-25-23-10-4-6-12-26(23)35-30(25)20-8-2-1-3-9-20/h1-19,35-36H/b34-18+
InChIKeyYLRLWPMBYSLHIO-FABQOPTDSA-N
XLogP9.04
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.00
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]hydroxylamine
CID 136702122
1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine
CID 137206000
2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746094
N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
CID 139216022
4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
CID 154926505
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 135847970
3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
CID 168852579
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide
CID 135951819
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135778125
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine?
The IUPAC name of (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine (CID 135951794) is (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine.
What is the SMILES notation for (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine?
The canonical SMILES for (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine is Clc1ccc(-c2[nH]c3ccccc3c2-c2coc(/N=C/c3c(-c4ccccc4)[nH]c4ccccc34)n2)cc1.
What is the InChIKey of (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine?
The InChIKey is YLRLWPMBYSLHIO-FABQOPTDSA-N. The full InChI is InChI=1S/C32H21ClN4O/c33-22-16-14-21(15-17-22)31-29(24-11-5-7-13-27(24)36-31)28-19-38-32(37-28)34-18-25-23-10-4-6-12-26(23)35-30(25)20-8-2-1-3-9-20/h1-19,35-36H/b34-18+.
What are the key properties of (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine?
(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine has a molecular weight of 513.00 g/mol, XLogP of 9.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine is sourced from PubChem (CID 135951794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).