3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline

C23H20ClN3 — CID 6108853

IUPAC3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline
SMILESCc1ccc(N/N=C\c2c(-c3ccccc3)n(C)c3ccccc23)cc1Cl
InChIInChI=1S/C23H20ClN3/c1-16-12-13-18(14-21(16)24)26-25-15-20-19-10-6-7-11-22(19)27(2)23(20)17-8-4-3-5-9-17/h3-15,26H,1-2H3/b25-15-
InChIKeyLWBSAQGUMRUWPF-MYYYXRDXSA-N
MW373.89 g/mol
LogP6.25
Rot. Bonds4

About 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline

3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline (PubChem CID 6108853) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline
PubChem CID6108853
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline
SMILESCc1ccc(N/N=C\c2c(-c3ccccc3)n(C)c3ccccc23)cc1Cl
InChIInChI=1S/C23H20ClN3/c1-16-12-13-18(14-21(16)24)26-25-15-20-19-10-6-7-11-22(19)27(2)23(20)17-8-4-3-5-9-17/h3-15,26H,1-2H3/b25-15-
InChIKeyLWBSAQGUMRUWPF-MYYYXRDXSA-N
XLogP6.25
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline?
The IUPAC name of 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline (CID 6108853) is 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline is Cc1ccc(N/N=C\c2c(-c3ccccc3)n(C)c3ccccc23)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline?
The InChIKey is LWBSAQGUMRUWPF-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H20ClN3/c1-16-12-13-18(14-21(16)24)26-25-15-20-19-10-6-7-11-22(19)27(2)23(20)17-8-4-3-5-9-17/h3-15,26H,1-2H3/b25-15-.
What are the key properties of 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline?
3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline has a molecular weight of 373.89 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 6108853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).