1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine

C23H28N6 — CID 110996415

IUPAC1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C23H28N6/c1-3-24-23(25-13-12-18-16-27-20-9-5-4-8-19(18)20)26-14-15-29-17(2)28-21-10-6-7-11-22(21)29/h4-11,16,27H,3,12-15H2,1-2H3,(H2,24,25,26)
InChIKeyROMHQJBDFTXDCZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.62
Rot. Bonds7

About 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine

1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (PubChem CID 110996415) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
PubChem CID110996415
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C23H28N6/c1-3-24-23(25-13-12-18-16-27-20-9-5-4-8-19(18)20)26-14-15-29-17(2)28-21-10-6-7-11-22(21)29/h4-11,16,27H,3,12-15H2,1-2H3,(H2,24,25,26)
InChIKeyROMHQJBDFTXDCZ-UHFFFAOYSA-N
XLogP3.62
TPSA70.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.62
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'}

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 26443966
2-butyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111150183
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110995331
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
1-ethyl-3-(2-hydroxyethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352894
2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110953632
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 110996545
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111499836
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111265367
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110996329
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400928

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (CID 110996415) is 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine is CCN/C(=N\CCc1c[nH]c2ccccc12)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The InChIKey is ROMHQJBDFTXDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-3-24-23(25-13-12-18-16-27-20-9-5-4-8-19(18)20)26-14-15-29-17(2)28-21-10-6-7-11-22(21)29/h4-11,16,27H,3,12-15H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine has a molecular weight of 388.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 110996415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).