2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine

C21H18ClN5 — CID 164715497

IUPAC2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cn(Cc2cccc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C21H18ClN5/c22-17-8-9-20-19(10-17)16(11-25-26-21(23)24)13-27(20)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13H,12H2,(H4,23,24,26)/b25-11+
InChIKeyAIKXWCDZNRTOIW-OPEKNORGSA-N
MW375.86 g/mol
LogP4.10
Rot. Bonds4

About 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine

2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine (PubChem CID 164715497) has the molecular formula C21H18ClN5 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
PubChem CID164715497
Molecular FormulaC21H18ClN5
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cn(Cc2cccc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C21H18ClN5/c22-17-8-9-20-19(10-17)16(11-25-26-21(23)24)13-27(20)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13H,12H2,(H4,23,24,26)/b25-11+
InChIKeyAIKXWCDZNRTOIW-OPEKNORGSA-N
XLogP4.10
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
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

N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide
CID 172962475
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
N'-[(E)-[1-[(2-bromophenyl)methyl]indol-3-yl]methylideneamino]quinoline-2-carboximidamide
CID 6474451
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
CID 3938272
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide
CID 177498963
2-[(E)-phenanthren-9-ylmethylideneamino]guanidine
CID 45481167

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine (CID 164715497) is 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine is NC(N)=N/N=C/c1cn(Cc2cccc3ccccc23)c2ccc(Cl)cc12.
What is the InChIKey of 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
The InChIKey is AIKXWCDZNRTOIW-OPEKNORGSA-N. The full InChI is InChI=1S/C21H18ClN5/c22-17-8-9-20-19(10-17)16(11-25-26-21(23)24)13-27(20)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13H,12H2,(H4,23,24,26)/b25-11+.
What are the key properties of 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine has a molecular weight of 375.86 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine is sourced from PubChem (CID 164715497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).