1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine

C20H24ClN5 — CID 111782018

IUPAC1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H24ClN5/c1-2-22-20(25-12-9-17-5-3-4-10-23-17)24-11-8-15-14-26-19-7-6-16(21)13-18(15)19/h3-7,10,13-14,26H,2,8-9,11-12H2,1H3,(H2,22,24,25)
InChIKeyUAIKXVZXKOYLNP-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.56
Rot. Bonds7

About 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111782018) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111782018
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H24ClN5/c1-2-22-20(25-12-9-17-5-3-4-10-23-17)24-11-8-15-14-26-19-7-6-16(21)13-18(15)19/h3-7,10,13-14,26H,2,8-9,11-12H2,1H3,(H2,22,24,25)
InChIKeyUAIKXVZXKOYLNP-UHFFFAOYSA-N
XLogP3.56
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.56
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'}

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Related Compounds

1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111191536
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782038
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110971241
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111780182
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111890294
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193819

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (CID 111782018) is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is UAIKXVZXKOYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-2-22-20(25-12-9-17-5-3-4-10-23-17)24-11-8-15-14-26-19-7-6-16(21)13-18(15)19/h3-7,10,13-14,26H,2,8-9,11-12H2,1H3,(H2,22,24,25).
What are the key properties of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 369.90 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111782018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).