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

C29H20ClN3 — CID 137206000

IUPAC1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine
SMILESClc1ccc(-c2[nH]c3ccccc3c2/C=N/c2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C29H20ClN3/c30-21-15-13-19(14-16-21)29-24(22-8-2-6-12-27(22)33-29)18-31-26-11-5-3-9-23(26)28-17-20-7-1-4-10-25(20)32-28/h1-18,32-33H/b31-18+
InChIKeyHDJVPUMKDSWIHR-FDAWAROLSA-N
MW445.95 g/mol
LogP8.39
Rot. Bonds4

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

1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine (PubChem CID 137206000) has the molecular formula C29H20ClN3 and a molecular weight of 445.95 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine
PubChem CID137206000
Molecular FormulaC29H20ClN3
Molecular Weight445.95 g/mol
Exact Mass445.13
IUPAC Name1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine
SMILESClc1ccc(-c2[nH]c3ccccc3c2/C=N/c2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C29H20ClN3/c30-21-15-13-19(14-16-21)29-24(22-8-2-6-12-27(22)33-29)18-31-26-11-5-3-9-23(26)28-17-20-7-1-4-10-25(20)32-28/h1-18,32-33H/b31-18+
InChIKeyHDJVPUMKDSWIHR-FDAWAROLSA-N
XLogP8.39
TPSA43.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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
(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-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
CID 139216022
(3E)-2-(1H-indol-2-yl)-3-[[2-(1H-indol-2-yl)-1H-indol-3-yl]methylidene]indole
CID 132529577
2-(2-iodophenyl)-1H-indole
CID 12996175
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135778125
N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 135847970
2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole
CID 70342342
2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole
CID 137234826
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
3-(naphthalen-1-yliminomethyl)-1H-quinoline-2-thione
CID 1212566
2,5-bis(1H-indol-2-yl)phenol
CID 67739555

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine?
The IUPAC name of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine (CID 137206000) is 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine is Clc1ccc(-c2[nH]c3ccccc3c2/C=N/c2ccccc2-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine?
The InChIKey is HDJVPUMKDSWIHR-FDAWAROLSA-N. The full InChI is InChI=1S/C29H20ClN3/c30-21-15-13-19(14-16-21)29-24(22-8-2-6-12-27(22)33-29)18-31-26-11-5-3-9-23(26)28-17-20-7-1-4-10-25(20)32-28/h1-18,32-33H/b31-18+.
What are the key properties of 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine?
1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine has a molecular weight of 445.95 g/mol, XLogP of 8.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine is sourced from PubChem (CID 137206000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).