2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine

C19H20ClN5O — CID 166633812

IUPAC2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine
SMILESCOc1cc(C)c2[nH]cc(/C=N/N/C(N)=N/Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H20ClN5O/c1-12-7-16(26-2)8-17-14(10-22-18(12)17)11-24-25-19(21)23-9-13-3-5-15(20)6-4-13/h3-8,10-11,22H,9H2,1-2H3,(H3,21,23,25)/b24-11+
InChIKeyROMPBKFJCUUBFM-BHGWPJFGSA-N
MW369.86 g/mol
LogP3.58
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine

2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine (PubChem CID 166633812) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine
PubChem CID166633812
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine
SMILESCOc1cc(C)c2[nH]cc(/C=N/N/C(N)=N/Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H20ClN5O/c1-12-7-16(26-2)8-17-14(10-22-18(12)17)11-24-25-19(21)23-9-13-3-5-15(20)6-4-13/h3-8,10-11,22H,9H2,1-2H3,(H3,21,23,25)/b24-11+
InChIKeyROMPBKFJCUUBFM-BHGWPJFGSA-N
XLogP3.58
TPSA87.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.58
H-Bond Donors ≤ 53
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-[2-(4-chlorophenyl)ethyl]-1-[(E)-(7-methyl-1H-indol-3-yl)methylideneamino]guanidine
CID 166628901
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 172938324
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135438347
methane;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 172944391
1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;hydroiodide
CID 135616888
5-[[amino-[2-[(5-methoxy-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]pentanoic acid
CID 136647326
(E)-but-2-enedioic acid;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;hydrobromide
CID 143321435
N'-[[N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]carbamimidoyl chloride
CID 166825471
heptanedioic acid;1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 135870813
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
2,2,2-trichloroethyl 5-[[amino-[2-[(5-methoxy-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]pentanoate
CID 136622156
2-hydroxypropane-1,2,3-tricarboxylic acid;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
CID 135922861

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine (CID 166633812) is 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine is COc1cc(C)c2[nH]cc(/C=N/N/C(N)=N/Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine?
The InChIKey is ROMPBKFJCUUBFM-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12-7-16(26-2)8-17-14(10-22-18(12)17)11-24-25-19(21)23-9-13-3-5-15(20)6-4-13/h3-8,10-11,22H,9H2,1-2H3,(H3,21,23,25)/b24-11+.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine?
2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine has a molecular weight of 369.86 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 166633812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).