N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide

C32H20Cl2N6S — CID 135951819

IUPACN-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide
SMILESClc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)cs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C32H20Cl2N6S/c33-20-11-9-19(10-12-20)30-29(24-6-2-4-8-27(24)36-30)28-18-41-32(37-28)38-31(40-39-22-15-13-21(34)14-16-22)25-17-35-26-7-3-1-5-23(25)26/h1-18,35-36H/b38-31-,40-39+
InChIKeyKRBXOECKWOGMLV-VRBLBDQKSA-N
MW591.53 g/mol
LogP10.61
Rot. Bonds5

About N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide

N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide (PubChem CID 135951819) has the molecular formula C32H20Cl2N6S and a molecular weight of 591.53 g/mol. Its IUPAC name is N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide
PubChem CID135951819
Molecular FormulaC32H20Cl2N6S
Molecular Weight591.53 g/mol
Exact Mass590.08
IUPAC NameN-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide
SMILESClc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)cs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C32H20Cl2N6S/c33-20-11-9-19(10-12-20)30-29(24-6-2-4-8-27(24)36-30)28-18-41-32(37-28)38-31(40-39-22-15-13-21(34)14-16-22)25-17-35-26-7-3-1-5-23(25)26/h1-18,35-36H/b38-31-,40-39+
InChIKeyKRBXOECKWOGMLV-VRBLBDQKSA-N
XLogP10.61
TPSA81.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.53
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
CID 154926505
(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
N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 8963026
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854747
4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
CID 2788394
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746094
[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene
CID 3837717
(NZ)-N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]hydroxylamine
CID 136702122
2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-2-(1H-indol-3-yl)acetic acid
CID 140611605
(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 86048852

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide?
The IUPAC name of N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide (CID 135951819) is N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide.
What is the SMILES notation for N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide?
The canonical SMILES for N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide is Clc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)cs2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide?
The InChIKey is KRBXOECKWOGMLV-VRBLBDQKSA-N. The full InChI is InChI=1S/C32H20Cl2N6S/c33-20-11-9-19(10-12-20)30-29(24-6-2-4-8-27(24)36-30)28-18-41-32(37-28)38-31(40-39-22-15-13-21(34)14-16-22)25-17-35-26-7-3-1-5-23(25)26/h1-18,35-36H/b38-31-,40-39+.
What are the key properties of N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide?
N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide has a molecular weight of 591.53 g/mol, XLogP of 10.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)imino-N'-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-thiazol-2-yl]-1H-indole-3-carboximidamide is sourced from PubChem (CID 135951819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).