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

C22H21N5O — CID 164715495

IUPAC2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
SMILESCOc1ccc2c(c1)c(/C=N/N=C(N)N)cn2Cc1cccc2ccccc12
InChIInChI=1S/C22H21N5O/c1-28-18-9-10-21-20(11-18)17(12-25-26-22(23)24)14-27(21)13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H4,23,24,26)/b25-12+
InChIKeyJCZFDSSHMIXJHN-BRJLIKDPSA-N
MW371.44 g/mol
LogP3.46
Rot. Bonds5

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

2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine (PubChem CID 164715495) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
PubChem CID164715495
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
SMILESCOc1ccc2c(c1)c(/C=N/N=C(N)N)cn2Cc1cccc2ccccc12
InChIInChI=1S/C22H21N5O/c1-28-18-9-10-21-20(11-18)17(12-25-26-22(23)24)14-27(21)13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H4,23,24,26)/b25-12+
InChIKeyJCZFDSSHMIXJHN-BRJLIKDPSA-N
XLogP3.46
TPSA90.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide
CID 172962475
2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 6187592
2-[(E)-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]methylideneamino]guanidine
CID 22394701
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572998
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
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
2-[(E)-[5-chloro-1-(naphthalene-1-carbonyl)indol-3-yl]methylideneamino]guanidine;hydrochloride
CID 154998770
1-(2,5-dimethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1358400

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine (CID 164715495) is 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine is COc1ccc2c(c1)c(/C=N/N=C(N)N)cn2Cc1cccc2ccccc12.
What is the InChIKey of 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
The InChIKey is JCZFDSSHMIXJHN-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H21N5O/c1-28-18-9-10-21-20(11-18)17(12-25-26-22(23)24)14-27(21)13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H4,23,24,26)/b25-12+.
What are the key properties of 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine?
2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine has a molecular weight of 371.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine is sourced from PubChem (CID 164715495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).