2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine

C18H18ClN5 — CID 162679306

IUPAC2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C18H18ClN5/c19-15-7-5-13(6-8-15)9-10-21-18(20)24-23-12-14-11-22-17-4-2-1-3-16(14)17/h1-8,11-12,22H,9-10H2,(H3,20,21,24)/b23-12+
InChIKeyZENKUQGXHYGPAV-FSJBWODESA-N
MW339.83 g/mol
LogP3.30
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine

2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine (PubChem CID 162679306) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine
PubChem CID162679306
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C18H18ClN5/c19-15-7-5-13(6-8-15)9-10-21-18(20)24-23-12-14-11-22-17-4-2-1-3-16(14)17/h1-8,11-12,22H,9-10H2,(H3,20,21,24)/b23-12+
InChIKeyZENKUQGXHYGPAV-FSJBWODESA-N
XLogP3.30
TPSA78.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

5-Chlorotryptamine
CID 77379
5-Chloro-alphamt
CID 12833
2-(1H-indol-3-yl)-2-phenylethan-1-amine
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3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
6-Chloroindole
CID 87111
Tepirindole
CID 68915
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 44589528
6-(4-Chlorophenyl)-4,5-dihydro-4-(1H-indol-3-yl)-3(2H)-pyridazinone
CID 2963062
N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4782931
3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine (CID 162679306) is 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine is N/C(=N\CCc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine?
The InChIKey is ZENKUQGXHYGPAV-FSJBWODESA-N. The full InChI is InChI=1S/C18H18ClN5/c19-15-7-5-13(6-8-15)9-10-21-18(20)24-23-12-14-11-22-17-4-2-1-3-16(14)17/h1-8,11-12,22H,9-10H2,(H3,20,21,24)/b23-12+.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine?
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine has a molecular weight of 339.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine is sourced from PubChem (CID 162679306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).