N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline

C22H19N3 — CID 135717367

IUPACN-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
SMILESC(=N/N(Cc1ccccc1)c1ccccc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3/c1-3-9-18(10-4-1)17-25(20-11-5-2-6-12-20)24-16-19-15-23-22-14-8-7-13-21(19)22/h1-16,23H,17H2/b24-16+
InChIKeyOVEXANZXKFQXCT-LFVJCYFKSA-N
MW325.42 g/mol
LogP5.21
Rot. Bonds5

About N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline

N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline (PubChem CID 135717367) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
PubChem CID135717367
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC NameN-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
SMILESC(=N/N(Cc1ccccc1)c1ccccc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3/c1-3-9-18(10-4-1)17-25(20-11-5-2-6-12-20)24-16-19-15-23-22-14-8-7-13-21(19)22/h1-16,23H,17H2/b24-16+
InChIKeyOVEXANZXKFQXCT-LFVJCYFKSA-N
XLogP5.21
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
CID 135571922
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
CID 21205176
1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine
CID 135801494
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine
CID 137309961
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid
CID 135802071
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline (CID 135717367) is N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline is C(=N/N(Cc1ccccc1)c1ccccc1)\c1c[nH]c2ccccc12.
What is the InChIKey of N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
The InChIKey is OVEXANZXKFQXCT-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H19N3/c1-3-9-18(10-4-1)17-25(20-11-5-2-6-12-20)24-16-19-15-23-22-14-8-7-13-21(19)22/h1-16,23H,17H2/b24-16+.
What are the key properties of N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline has a molecular weight of 325.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline is sourced from PubChem (CID 135717367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).