N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide

C22H19ClN4 — CID 172962475

IUPACN'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide
SMILESCC(N)=N/N=C/c1cn(Cc2cccc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C22H19ClN4/c1-15(24)26-25-12-18-14-27(22-10-9-19(23)11-21(18)22)13-17-7-4-6-16-5-2-3-8-20(16)17/h2-12,14H,13H2,1H3,(H2,24,26)/b25-12+
InChIKeyODVYYZLLTXLTQS-BRJLIKDPSA-N
MW374.88 g/mol
LogP5.21
Rot. Bonds4

About N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide

N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide (PubChem CID 172962475) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide
PubChem CID172962475
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC NameN'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide
SMILESCC(N)=N/N=C/c1cn(Cc2cccc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C22H19ClN4/c1-15(24)26-25-12-18-14-27(22-10-9-19(23)11-21(18)22)13-17-7-4-6-16-5-2-3-8-20(16)17/h2-12,14H,13H2,1H3,(H2,24,26)/b25-12+
InChIKeyODVYYZLLTXLTQS-BRJLIKDPSA-N
XLogP5.21
TPSA55.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
CID 164715497
2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
CID 164715495
2-[(E)-[5-chloro-1-(naphthalene-1-carbonyl)indol-3-yl]methylideneamino]guanidine;hydrochloride
CID 154998770
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
(3Z)-3-[[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]piperidine-2,4,6-trione
CID 149237740
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126220780
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
CID 6474442
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
N'-[(E)-[1-[(2-bromophenyl)methyl]indol-3-yl]methylideneamino]quinoline-2-carboximidamide
CID 6474451
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377852
2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 6187592
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
CID 3938272

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide?
The IUPAC name of N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide (CID 172962475) is N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide.
What is the SMILES notation for N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide?
The canonical SMILES for N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide is CC(N)=N/N=C/c1cn(Cc2cccc3ccccc23)c2ccc(Cl)cc12.
What is the InChIKey of N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide?
The InChIKey is ODVYYZLLTXLTQS-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H19ClN4/c1-15(24)26-25-12-18-14-27(22-10-9-19(23)11-21(18)22)13-17-7-4-6-16-5-2-3-8-20(16)17/h2-12,14H,13H2,1H3,(H2,24,26)/b25-12+.
What are the key properties of N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide?
N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide has a molecular weight of 374.88 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide is sourced from PubChem (CID 172962475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).