2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine

C14H21N5 — CID 110914745

IUPAC2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCc1nc2ccccc2[nH]1)NCC
InChIInChI=1S/C14H21N5/c1-3-15-14(16-4-2)17-10-9-13-18-11-7-5-6-8-12(11)19-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyACKOYCHLNWCVSW-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.68
Rot. Bonds5

About 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine

2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine (PubChem CID 110914745) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine
PubChem CID110914745
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCc1nc2ccccc2[nH]1)NCC
InChIInChI=1S/C14H21N5/c1-3-15-14(16-4-2)17-10-9-13-18-11-7-5-6-8-12(11)19-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeyACKOYCHLNWCVSW-UHFFFAOYSA-N
XLogP1.68
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.68
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

2-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005717
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191967
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472421
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978308
2-[3-(1H-benzimidazol-2-yl)propyl]-1-tert-butyl-3-ethylguanidine;hydroiodide
CID 110965957
2-[3-(1H-benzimidazol-2-yl)propyl]-1-ethyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978332
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111222604
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 111945606
3-[[[2-(1H-benzimidazol-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
CID 111942099
2-[3-(1H-benzimidazol-2-yl)propyl]-1-(3-butoxypropyl)-3-ethylguanidine
CID 111239771
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111380048
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111532315

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine (CID 110914745) is 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine is CCNC(=NCCc1nc2ccccc2[nH]1)NCC.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine?
The InChIKey is ACKOYCHLNWCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-15-14(16-4-2)17-10-9-13-18-11-7-5-6-8-12(11)19-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H2,15,16,17).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine?
2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine has a molecular weight of 259.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine is sourced from PubChem (CID 110914745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).